Name ID Formula MolWeight Structure Hyd ['1215071-04-7', '1190006-03-1', '58-93-5', '125727-50-6'] C7H8ClN3O4S2 296.9644754159999 RDKit 2D;; 17 18 0 0 0 0 0 0 0 0999 V2000; -2.2500 -6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -2.7990 -4.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.2010 -5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 -0.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 0.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 2 0; 2 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 8 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 15 17 2 0; 10 5 1 0; 15 7 1 0;M END TP_Hyd_1 ['35645-04-6', '285977-74-4', '51284-92-5', '51284-91-4', '43380-64-9', '35692-88-7', '104809-61-2', '1449-77-0', '75-12-7', '28704-51-0'] CH3NO 45.021463716 RDKit 2D;; 3 2 0 0 0 0 0 0 0 0999 V2000; 1.2990 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0;M END TP_Hyd_2 C7H7ClN2O5S 265.97642000400003 RDKit 2D;; 16 16 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 4 6 2 0; 6 7 1 0; 6 8 1 0; 8 9 1 0; 8 10 2 0; 10 11 1 0; 11 12 2 0; 11 13 2 0; 11 14 1 0; 14 15 1 0; 15 16 2 0; 10 2 1 0;M END TP_Hyd_3 ['22364-56-3', '1026405-88-8', '14914-35-3', '13780-28-4', '13587-49-0', '13550-49-7', '84796-14-5', '34819-78-8', '13767-16-3', '14390-96-6', '14798-03-9', '15194-15-7', '14158-23-7', '6684-80-6', '7664-41-7'] H3N 17.026549096 RDKit 2D;; 1 0 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0;M END TP_Hyd_4 C7H10ClN3O4S 267.00805448 RDKit 2D;; 16 16 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 6 8 2 0; 8 9 1 0; 9 10 1 0; 9 11 2 0; 9 12 2 0; 8 13 1 0; 13 14 1 0; 13 15 2 0; 15 16 1 0; 15 4 1 0;M END TP_Hyd_5 ['41606-65-9', '41406-65-9'] C6H7ClN2O3S 221.986590764 RDKit 2D;; 13 13 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 4 6 2 0; 6 7 1 0; 7 8 1 0; 7 9 2 0; 7 10 2 0; 6 11 1 0; 11 12 2 0; 12 13 1 0; 12 2 1 0;M END TP_Hyd_6 C7H7ClN2O6S2 313.94340562400004 RDKit 2D;; 18 18 0 0 0 0 0 0 0 0999 V2000; 4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -0.2010 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 2 0; 2 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 2 0; 8 11 1 0; 7 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 12 16 1 0; 16 17 2 0; 17 18 1 0; 17 5 1 0;M END TP_Hyd_7 C7H7ClN2O5S2 297.948491004 RDKit 2D;; 17 18 0 0 0 0 0 0 0 0999 V2000; -2.7990 -4.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -0.2010 -5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 -0.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 0.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 2 0; 2 4 1 0; 2 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 8 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 15 17 2 0; 10 5 1 0; 15 7 1 0;M END TP_Hyd_8 C7H7ClN2O4S 249.981505384 RDKit 2D;; 15 15 0 0 0 0 0 0 0 0999 V2000; 4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 2 0; 2 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 7 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 9 13 1 0; 13 14 2 0; 14 15 1 0; 14 5 1 0;M END TP_Hyd_9 C7H7ClN2O3S 233.986590764 RDKit 2D;; 14 15 0 0 0 0 0 0 0 0999 V2000; 2.6491 0.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 2.6491 -0.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 2 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 9 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 2 1 0; 14 7 1 0;M END TP_Hyd_10 C7H9ClN2O4S 251.997155448 RDKit 2D;; 15 15 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 6 8 2 0; 8 9 1 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 12 14 2 0; 12 15 1 0; 11 4 1 0;M END TP_Hyd_11 C6H5ClO8S2 303.9114368 RDKit 2D;; 17 17 0 0 0 0 0 0 0 0999 V2000; 3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -2.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.2010 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 2 0; 2 4 1 0; 2 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 2 0; 8 11 1 0; 7 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 2 0; 16 17 1 0; 16 5 1 0;M END TP_Hyd_12 C7H9ClN2O5S 267.99207006800003 RDKit 2D;; 16 16 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 6 8 2 0; 8 9 1 0; 9 10 2 0; 9 11 2 0; 9 12 1 0; 8 13 1 0; 13 14 1 0; 13 15 2 0; 15 16 1 0; 15 4 1 0;M END TP_Hyd_13 C7H9ClN2O4S 251.997155448 RDKit 2D;; 15 15 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 6 8 2 0; 8 9 1 0; 9 10 2 0; 9 11 2 0; 9 12 1 0; 8 13 1 0; 13 14 2 0; 14 15 1 0; 14 4 1 0;M END TP_Hyd_14 C7H9ClN2O5S 267.99207006800003 RDKit 2D;; 16 16 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 6 8 2 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 10 12 2 0; 12 13 1 0; 13 14 2 0; 13 15 2 0; 13 16 1 0; 12 4 1 0;M END TP_Hyd_15 ['2372-88-5'] CH6N2 46.05309819199999 RDKit 2D;; 3 2 0 0 0 0 0 0 0 0999 V2000; 1.2990 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0;M END TP_Hyd_16 C6H7ClN2O4S 237.981505384 RDKit 2D;; 14 14 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 4 6 2 0; 6 7 1 0; 7 8 1 0; 7 9 2 0; 7 10 2 0; 6 11 1 0; 11 12 1 0; 11 13 2 0; 13 14 1 0; 13 2 1 0;M END TP_Hyd_17 C7H7ClN2O5S 265.97642000400003 RDKit 2D;; 16 16 0 0 0 0 0 0 0 0999 V2000; 4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 2 0; 2 5 1 0; 5 6 2 0; 6 7 1 0; 6 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 9 13 1 0; 13 14 1 0; 13 15 2 0; 15 16 1 0; 15 5 1 0;M END TP_Hyd_18 C7H11N3O4S 233.047026832 RDKit 2D;; 15 15 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 6 8 2 0; 8 9 1 0; 9 10 1 0; 9 11 2 0; 9 12 2 0; 8 13 1 0; 13 14 2 0; 14 15 1 0; 14 4 1 0;M END TP_Hyd_19 C7H10ClN3O3S 251.01313986 RDKit 2D;; 15 15 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 6 8 2 0; 8 9 1 0; 9 10 1 0; 9 11 2 0; 9 12 2 0; 8 13 1 0; 13 14 2 0; 14 15 1 0; 14 4 1 0;M END TP_Hyd_20 ['1753-71-5'] C7H8ClN3O5S2 312.959390036 RDKit 2D;; 18 18 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 4 6 2 0; 6 7 1 0; 7 8 1 0; 7 9 2 0; 7 10 2 0; 6 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 13 15 2 0; 13 16 1 0; 16 17 1 0; 17 18 2 0; 12 2 1 0;M END TP_Hyd_21 C6H6ClNO6S2 286.932506592 RDKit 2D;; 16 16 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 4 6 2 0; 6 7 1 0; 7 8 2 0; 7 9 2 0; 7 10 1 0; 6 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 13 15 2 0; 13 16 1 0; 12 2 1 0;M END TP_Hyd_22 C7H7ClN2O4S 249.981505384 RDKit 2D;; 15 15 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 4 6 2 0; 6 7 1 0; 6 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 2 0; 10 13 1 0; 13 14 1 0; 14 15 2 0; 9 2 1 0;M END TP_Hyd_23 C7H10ClN3O5S2 314.9750400999999 RDKit 2D;; 18 18 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 6 8 2 0; 8 9 1 0; 9 10 1 0; 9 11 2 0; 9 12 2 0; 8 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 15 17 2 0; 15 18 1 0; 14 4 1 0;M END TP_Hyd_24 C6H7ClN2O5S2 285.948491004 RDKit 2D;; 16 16 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 4 6 2 0; 6 7 1 0; 7 8 1 0; 7 9 2 0; 7 10 2 0; 6 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 13 15 2 0; 13 16 1 0; 12 2 1 0;M END TP_Hyd_25 C7H6ClNO7S2 314.9274212119999 RDKit 2D;; 18 18 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 6 8 2 0; 8 9 1 0; 9 10 2 0; 9 11 2 0; 9 12 1 0; 8 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 15 17 2 0; 15 18 1 0; 14 4 1 0;M END TP_Hyd_26 C7H7ClN2O4S 249.981505384 RDKit 2D;; 15 16 0 0 0 0 0 0 0 0999 V2000; 2.6491 0.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 2.6491 -0.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 2 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 9 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 13 15 2 0; 15 2 1 0; 15 7 1 0;M END TP_Hyd_27 C7H7ClN2O6S2 313.94340562400004 RDKit 2D;; 18 18 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 4 6 2 0; 6 7 1 0; 7 8 2 0; 7 9 2 0; 7 10 1 0; 6 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 13 15 2 0; 13 16 1 0; 16 17 1 0; 17 18 2 0; 12 2 1 0;M END TP_Hyd_28 C7H7ClN2O6S 281.971334624 RDKit 2D;; 17 17 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.4895 2.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.1595 1.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 9 11 1 0; 5 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 15 17 2 0; 15 4 1 0;M END TP_Hyd_29 C7H9ClN2O6S2 315.959055688 RDKit 2D;; 18 18 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 6 8 2 0; 8 9 1 0; 9 10 2 0; 9 11 2 0; 9 12 1 0; 8 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 15 17 2 0; 15 18 1 0; 14 4 1 0;M END Nal ['854601-70-0'] C34H53NO11 651.3618615159999 RDKit 2D;; 46 50 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.0000 15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 17 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 43 45 1 0; 45 46 1 0; 45 4 1 0; 16 7 1 0; 43 7 1 0; 14 8 1 0; 46 9 1 0;M END TP_Nal_1 C20H25NO6 375.16818752000006 RDKit 2D;; 27 31 0 0 0 0 0 0 0 0999 V2000; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 22 26 1 0; 26 27 1 0; 26 8 1 0; 22 11 1 0; 25 13 1 0; 21 15 1 0; 27 20 1 0;M END TP_Nal_2 C26H37NO10 523.2417463839998 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 14 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 35 1 0; 35 36 2 0; 35 37 1 0; 13 4 1 0; 33 4 1 0; 11 5 2 0; 37 6 1 0;M END TP_Nal_3 C30H45NO12 611.29417588 RDKit 2D;; 43 47 0 0 0 0 0 0 0 0999 V2000; 3.0000 -31.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -31.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -32.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -29.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -28.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -27.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -25.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -24.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -23.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -22.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 38 42 1 0; 42 43 1 0; 42 24 1 0; 38 27 1 0; 41 29 1 0; 37 31 1 0; 43 36 1 0;M END TP_Nal_4 C25H33NO7 459.2257023959999 RDKit 2D;; 33 37 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 17 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 32 1 0; 32 33 1 0; 32 4 1 0; 16 7 1 0; 30 7 1 0; 14 8 1 0; 33 9 1 0;M END TP_Nal_5 C29H41NO11 579.2679611319999 RDKit 2D;; 41 44 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.9516 -2.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 2 0; 32 34 1 0; 17 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 37 39 1 0; 39 40 2 0; 39 41 1 0; 16 7 1 0; 37 7 1 0; 14 8 2 0; 41 9 1 0;M END TP_Nal_6 C19H21NO6 359.13688739199995 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4149 -4.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.2868 -4.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.1012 -4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2159 -5.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5218 -2.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 2 0; 24 26 1 0; 16 7 1 0; 21 7 1 0; 14 8 2 0; 26 9 1 0;M END TP_Nal_7 C28H43NO11 569.2836111959999 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 21.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 32 33 1 0; 32 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 35 39 1 0; 39 40 1 0; 39 20 1 0; 35 23 1 0; 38 25 1 0; 34 27 1 0;M END TP_Nal_8 C21H29NO8 423.1893168879999 RDKit 2D;; 30 32 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7054 1.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 24 29 1 0; 29 30 1 0; 19 4 1 0; 20 7 1 0; 29 7 1 0;M END TP_Nal_9 C33H51NO13 669.336040692 RDKit 2D;; 47 51 0 0 0 0 0 0 0 0999 V2000; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 33 35 1 0; 35 36 2 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 42 44 1 0; 44 45 1 0; 37 46 1 0; 46 47 1 0; 46 23 1 0; 37 26 1 0; 40 28 1 0; 36 30 1 0; 47 35 1 0;M END TP_Nal_10 C19H23NO6 361.15253745600006 RDKit 2D;; 26 30 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.1406 -5.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6041 -7.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7188 -8.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2922 -8.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 20 26 1 0; 13 4 1 0; 25 23 1 0; 18 4 1 0; 11 5 2 0; 26 6 1 0;M END TP_Nal_11 C23H29NO7 431.1944022679999 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 31 2 0; 22 4 1 0; 31 24 1 0; 20 7 1 0; 31 7 1 0;M END TP_Nal_12 C8H14O6 206.079038168 RDKit 2D;; 14 13 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0;M END TP_Nal_13 C25H35NO8 477.2362670799999 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 22 33 1 0; 33 34 1 0; 17 4 1 0; 18 7 1 0; 33 7 1 0; 14 8 1 0;M END TP_Nal_14 C22H31NO8 437.2049669519999 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 11 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 17 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 2 1 0; 10 4 1 0; 30 11 1 0; 16 9 1 0;M END TP_Nal_15 ['478529-54-3', '478529-58-7', '478529-54-3', '478529-51-0', '478529-62-3', '71122-43-5', '478529-64-5', '478529-60-1', '478529-56-5', '478529-53-2', '478529-50-9', '72599-69-0', '70849-18-2', '497-09-6', '453-17-8', '56-82-6', '367-47-5'] C3H6O3 90.031694052 RDKit 2D;; 6 5 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 3 5 1 0; 5 6 1 0;M END TP_Nal_16 C16H17NO5 303.11067264400003 RDKit 2D;; 22 26 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.3943 2.4607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 11 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 17 21 1 0; 21 22 1 0; 21 2 1 0; 17 5 1 0; 20 7 1 0; 16 9 1 0; 22 15 1 0;M END TP_Nal_17 C31H47NO11 609.3149113239999 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 10 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 32 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 39 41 1 0; 41 42 1 0; 41 43 2 0; 34 4 1 0; 43 36 1 0; 32 7 1 0; 43 7 1 0;M END TP_Nal_18 C33H49NO13 667.320390628 RDKit 2D;; 47 52 0 0 0 0 0 0 0 0999 V2000; 26.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 38 46 1 0; 46 47 1 0; 46 24 1 0; 38 27 1 0; 45 43 1 0; 41 29 1 0; 37 31 1 0; 47 36 1 0;M END TP_Nal_19 C31H47NO11 609.3149113239999 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 2 0; 22 42 1 0; 42 43 1 0; 17 4 1 0; 18 7 1 0; 42 7 1 0; 14 8 1 0;M END TP_Nal_20 C16H17NO5 303.110672644 RDKit 2D;; 22 26 0 0 0 0 0 0 0 0999 V2000; 0.0000 -6.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -4.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3515 -3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6852 -2.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5357 -1.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1642 0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9857 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2498 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1825 -3.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8511 -4.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7838 -5.6306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.5871 -3.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.6544 -1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.6852 -2.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3515 -3.9342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.8589 -3.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 16 20 1 0; 20 21 1 0; 20 22 1 0; 21 2 1 0; 16 5 1 0; 19 7 1 0; 15 9 1 0; 22 14 1 0;M END TP_Nal_21 ['1190-23-4', '503-66-2', '25718-95-0'] C3H6O3 90.031694052 RDKit 2D;; 6 5 0 0 0 0 0 0 0 0999 V2000; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0;M END TP_Nal_22 ['22364-56-3', '1026405-88-8', '14914-35-3', '13780-28-4', '13587-49-0', '13550-49-7', '84796-14-5', '34819-78-8', '13767-16-3', '14390-96-6', '14798-03-9', '15194-15-7', '14158-23-7', '6684-80-6', '7664-41-7'] H3N 17.026549096 RDKit 2D;; 1 0 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0;M END TP_Nal_23 C33H49NO13 667.3203906279999 RDKit 2D;; 47 50 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 2 0; 21 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 46 5 1 0; 13 7 1 0; 46 14 1 0; 20 12 1 0;M END TP_Nal_24 ['2615-15-8', '6529-43-7'] C12H26O7 282.16785317200004 RDKit 2D;; 19 18 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 22.0836 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0;M END TP_Nal_25 C19H23NO5 345.157622836 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 23 25 1 0; 16 7 1 0; 21 7 1 0; 14 8 2 0; 25 9 1 0;M END TP_Nal_26 C22H29NO8 435.189316888 RDKit 2D;; 31 35 0 0 0 0 0 0 0 0999 V2000; 3.0000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 22 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 26 30 1 0; 30 31 1 0; 30 12 1 0; 26 15 1 0; 29 17 1 0; 25 19 1 0; 31 24 1 0;M END TP_Nal_27 C28H43NO10 553.2886965759999 RDKit 2D;; 39 43 0 0 0 0 0 0 0 0999 V2000; 1.5000 -28.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -27.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -25.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -24.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -23.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -22.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 34 38 1 0; 38 39 1 0; 38 20 1 0; 34 23 1 0; 37 25 1 0; 33 27 1 0; 39 32 1 0;M END TP_Nal_28 C19H25NO7 379.1631021399999 RDKit 2D;; 27 29 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7054 1.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 19 4 1 0; 20 7 1 0; 26 7 1 0;M END TP_Nal_29 C31H48O14 644.304406216 RDKit 2D;; 45 47 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3038 1.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 35 37 1 0; 37 38 1 0; 37 39 2 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 2 0; 40 44 1 0; 44 45 1 0; 44 24 1 0; 40 27 1 0; 39 32 1 0;M END TP_Nal_30 ['5770-06-9', '28563-35-1', '5770-05-8', '4206-31-9', '32479-98-4', '14742-26-8', '6853-31-2', '3046-50-2', '1849-29-2', '1455-13-6', '811-98-3', '67-56-1', '170082-17-4'] CH4O 32.026214748 RDKit 2D;; 2 1 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0;M END TP_Nal_31 C29H41NO11 579.267961132 RDKit 2D;; 41 46 0 0 0 0 0 0 0 0999 V2000; 19.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 28 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 32 40 1 0; 40 41 1 0; 40 18 1 0; 32 21 1 0; 39 37 1 0; 35 23 1 0; 31 25 1 0; 41 30 1 0;M END TP_Nal_32 C28H40O12 568.2519767199999 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 14 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 38 39 2 0; 38 40 1 0; 13 4 1 0; 36 4 1 0; 11 5 2 0; 40 6 1 0;M END TP_Nal_33 C20H25NO7 391.1631021399999 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 14 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 26 28 1 0; 13 4 1 0; 24 4 1 0; 11 5 2 0; 28 6 1 0;M END TP_Nal_34 C33H49NO11 635.3305613879999 RDKit 2D;; 45 49 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 2 0; 17 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 42 44 1 0; 44 45 1 0; 44 4 1 0; 16 7 1 0; 42 7 1 0; 14 8 1 0; 45 9 1 0;M END TP_Nal_35 C30H45NO12 611.2941758799999 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.1760 -5.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -31.5463 -4.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -32.7598 -5.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 2 0; 14 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 39 41 1 0; 41 42 2 0; 41 43 1 0; 13 4 1 0; 39 4 1 0; 11 5 2 0; 43 6 1 0;M END TP_Nal_36 C34H53NO13 683.3516907559999 RDKit 2D;; 48 50 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 15 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 21 45 1 0; 45 46 1 0; 46 47 1 0; 47 48 1 0; 47 5 1 0; 14 7 1 0; 47 15 1 0;M END TP_Nal_37 C21H27NO7 405.17875220400003 RDKit 2D;; 29 33 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.1406 -5.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6041 -7.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7188 -8.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2922 -8.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 14 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 23 29 1 0; 13 4 1 0; 28 26 1 0; 21 4 1 0; 11 5 2 0; 29 6 1 0;M END TP_Nal_38 C25H35NO8 477.23626707999995 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 10 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 32 33 1 0; 32 34 2 0; 25 4 1 0; 34 27 1 0; 23 7 1 0; 34 7 1 0;M END TP_Nal_39 C14H26O9 338.15768241199993 RDKit 2D;; 23 22 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 22.0836 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 23.3827 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.6817 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.6817 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.9808 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 21 23 1 0;M END TP_Nal_40 C30H47NO12 613.3098259439998 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.1760 -5.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -31.5463 -4.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -32.7598 -5.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 14 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 39 41 1 0; 41 42 2 0; 41 43 1 0; 13 4 1 0; 39 4 1 0; 11 5 2 0; 43 6 1 0;M END TP_Nal_41 C21H27NO6 389.18383758399995 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 20 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 5 1 0; 13 7 1 0; 27 14 1 0; 19 12 1 0;M END TP_Nal_42 C22H31NO8 437.204966952 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 12.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 2 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 26 30 1 0; 30 31 1 0; 30 11 1 0; 26 14 1 0; 29 16 1 0; 25 18 1 0;M END TP_Nal_43 C31H49NO12 627.3254760079999 RDKit 2D;; 44 46 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 21 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 43 5 1 0; 14 7 1 0; 43 15 1 0;M END TP_Nal_44 C29H43NO11 581.2836111959999 RDKit 2D;; 41 45 0 0 0 0 0 0 0 0999 V2000; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 31 2 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 32 40 1 0; 40 41 1 0; 40 17 1 0; 32 20 1 0; 39 37 1 0; 35 22 1 0; 31 24 1 0;M END TP_Nal_45 C24H33NO8 463.220617016 RDKit 2D;; 33 37 0 0 0 0 0 0 0 0999 V2000; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 28 32 1 0; 32 33 1 0; 32 14 1 0; 28 17 1 0; 31 19 1 0; 27 21 1 0; 33 26 1 0;M END TP_Nal_46 C31H47NO12 625.309825944 RDKit 2D;; 44 48 0 0 0 0 0 0 0 0999 V2000; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 39 41 1 0; 41 42 1 0; 34 43 1 0; 43 44 1 0; 43 20 1 0; 34 23 1 0; 37 25 1 0; 33 27 1 0; 44 32 1 0;M END TP_Nal_47 C25H37NO10 511.24174638399984 RDKit 2D;; 36 38 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7054 1.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 24 35 1 0; 35 36 1 0; 19 4 1 0; 20 7 1 0; 35 7 1 0;M END TP_Nal_48 C34H53NO13 683.3516907559999 RDKit 2D;; 48 52 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7990 5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 35 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 39 47 1 0; 47 48 1 0; 47 24 1 0; 39 27 1 0; 46 44 1 0; 38 32 1 0; 48 37 1 0;M END TP_Nal_49 C33H51NO13 669.3360406919999 RDKit 2D;; 47 51 0 0 0 0 0 0 0 0999 V2000; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 33 35 1 0; 35 36 1 0; 35 37 2 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 38 46 1 0; 46 47 1 0; 46 23 1 0; 38 26 1 0; 45 43 1 0; 41 28 1 0; 37 30 1 0;M END TP_Nal_50 C34H55NO13 685.3673408199999 RDKit 2D;; 48 52 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 1 0; 36 38 2 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 39 47 1 0; 47 48 1 0; 47 24 1 0; 39 27 1 0; 46 44 1 0; 42 29 1 0; 38 31 1 0;M END TP_Nal_51 C29H43NO11 581.2836111959998 RDKit 2D;; 41 43 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 2 0; 23 40 1 0; 40 41 1 0; 19 7 1 0; 40 7 1 0; 14 8 2 0;M END TP_Nal_52 C34H53NO12 667.3567761359999 RDKit 2D;; 47 52 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 38 46 1 0; 46 47 1 0; 46 24 1 0; 38 27 1 0; 45 43 1 0; 41 29 1 0; 37 31 1 0; 47 36 1 0;M END TP_Nal_53 C33H49NO13 667.3203906279999 RDKit 2D;; 47 50 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.1760 -5.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -31.5463 -4.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -31.7031 -3.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -32.7598 -5.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 2 0; 38 40 1 0; 17 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 43 45 1 0; 45 46 2 0; 45 47 1 0; 16 7 1 0; 43 7 1 0; 14 8 2 0; 47 9 1 0;M END TP_Nal_54 C19H23NO5 345.157622836 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 2 0; 16 4 1 0; 25 18 1 0; 14 7 1 0; 25 7 1 0;M END TP_Nal_55 C21H29NO7 407.1944022679999 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 21 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 28 5 1 0; 14 7 1 0; 28 15 1 0;M END TP_Nal_56 ['17976-70-4'] C4H8O3 104.047344116 RDKit 2D;; 7 6 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0;M END TP_Nal_57 C27H37NO9 519.2468317639998 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 17 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 35 1 0; 35 36 2 0; 35 37 1 0; 16 7 1 0; 33 7 1 0; 14 8 2 0; 37 9 1 0;M END TP_Nal_58 C31H51NO13 645.3360406919999 RDKit 2D;; 45 47 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3038 1.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 35 37 1 0; 37 38 1 0; 37 39 2 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 40 44 1 0; 44 45 1 0; 44 24 1 0; 40 27 1 0; 39 32 1 0;M END TP_Nal_59 C27H37NO8 503.2519171439999 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 17 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 35 1 0; 35 36 1 0; 35 4 1 0; 16 7 1 0; 33 7 1 0; 14 8 1 0; 36 9 1 0;M END TP_Nal_60 C33H51NO11 637.3462114519998 RDKit 2D;; 45 49 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 17 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 42 44 1 0; 44 45 1 0; 44 4 1 0; 16 7 1 0; 42 7 1 0; 14 8 1 0; 45 9 1 0;M END TP_Nal_61 C21H27NO7 405.1787522039999 RDKit 2D;; 29 33 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.0490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 11 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 21 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 28 2 1 0; 10 4 1 0; 28 11 1 0; 20 9 1 0; 18 16 1 0;M END TP_Nal_62 C34H53NO13 683.3516907559999 RDKit 2D;; 48 51 0 0 0 0 0 0 0 0999 V2000; 0.3295 8.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7716 6.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.2286 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.1518 -3.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4856 -5.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.9189 -5.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2527 -6.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.6861 -7.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0198 -8.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4532 -9.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7870 -10.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2203 -11.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.5541 -12.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.9875 -13.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.3213 -14.5748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7546 -15.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.0884 -16.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.5218 -16.9214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.8556 -18.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.2889 -18.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.6227 -20.2883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.0560 -20.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.3898 -22.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8232 -22.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -20.1570 -24.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1806 1.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8470 2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4049 0.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4252 -0.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9830 -1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5206 -2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4385 -3.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.4996 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8378 -1.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0575 0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 11 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 37 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 2 0; 42 43 1 0; 43 44 2 0; 44 45 1 0; 44 46 1 0; 46 47 1 0; 46 48 2 0; 39 4 1 0; 48 41 1 0; 37 7 1 0; 48 7 1 0;M END TP_Nal_63 C20H27NO7 393.1787522039999 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 11 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 17 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 2 1 0; 10 4 1 0; 27 11 1 0; 16 9 1 0;M END TP_Nal_64 C21H27NO6 389.18383758399995 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 17 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 26 28 1 0; 16 7 1 0; 24 7 1 0; 14 8 2 0; 28 9 1 0;M END TP_Nal_65 C31H45NO10 591.3043466399998 RDKit 2D;; 42 46 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 2 0; 17 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 39 41 1 0; 41 42 1 0; 41 4 1 0; 16 7 1 0; 39 7 1 0; 14 8 1 0; 42 9 1 0;M END TP_Nal_66 C23H31NO6 417.21513771199994 RDKit 2D;; 30 34 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 17 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 4 1 0; 16 7 1 0; 27 7 1 0; 14 8 1 0; 30 9 1 0;M END TP_Nal_67 C27H41NO10 539.273046512 RDKit 2D;; 38 42 0 0 0 0 0 0 0 0999 V2000; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 35 1 0; 35 36 1 0; 28 37 1 0; 37 38 1 0; 37 14 1 0; 28 17 1 0; 31 19 1 0; 27 21 1 0; 38 26 1 0;M END TP_Nal_68 C16H19NO4 289.131408088 RDKit 2D;; 21 25 0 0 0 0 0 0 0 0999 V2000; -3.3067 4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 7 2 1 0; 21 9 1 0; 17 5 1 0; 21 6 1 0; 21 14 1 0;M END TP_Nal_69 C34H55NO14 701.3622554399999 RDKit 2D;; 49 51 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7054 1.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.0000 15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 24 48 1 0; 48 49 1 0; 19 4 1 0; 20 7 1 0; 48 7 1 0;M END TP_Nal_70 C29H45NO11 583.29926126 RDKit 2D;; 41 45 0 0 0 0 0 0 0 0999 V2000; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 38 39 1 0; 31 40 1 0; 40 41 1 0; 40 17 1 0; 31 20 1 0; 34 22 1 0; 30 24 1 0; 41 29 1 0;M END TP_Nal_71 C16H16O6 304.094688232 RDKit 2D;; 22 25 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 13 4 1 0; 18 4 1 0; 11 5 2 0; 22 6 1 0;M END TP_Nal_72 C26H39NO10 525.2573964479998 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 11 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 17 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 2 1 0; 10 4 1 0; 36 11 1 0; 16 9 1 0;M END TP_Nal_73 C34H53NO13 683.351690756 RDKit 2D;; 48 52 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.2990 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 29 35 1 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 39 41 1 0; 41 42 2 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 2 0; 43 47 1 0; 47 48 1 0; 47 24 1 0; 43 27 1 0; 34 32 1 0; 42 36 1 0; 48 41 1 0;M END TP_Nal_74 C19H21NO6 359.13688739199995 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; -7.0557 -5.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4456 -4.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9538 -4.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3437 -2.9829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -2.8519 -2.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2418 -1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5838 -3.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7406 -4.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5271 -5.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6839 -7.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.1568 -5.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0567 -5.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -3.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1277 0.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.5875 -2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 11 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 2 0; 24 26 1 0; 17 7 1 0; 22 7 1 0; 15 8 2 0; 26 9 1 0;M END TP_Nal_75 C31H47NO11 609.3149113239998 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 17 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 39 41 1 0; 41 42 2 0; 41 43 1 0; 16 7 1 0; 39 7 1 0; 14 8 2 0; 43 9 1 0;M END TP_Nal_76 C33H51NO12 653.341126072 RDKit 2D;; 46 49 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 2 0; 22 45 1 0; 45 46 1 0; 17 4 1 0; 18 7 1 0; 45 7 1 0; 14 8 1 0;M END TP_Nal_77 C21H27NO7 405.178752204 RDKit 2D;; 29 33 0 0 0 0 0 0 0 0999 V2000; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 19 28 1 0; 28 29 1 0; 28 5 1 0; 19 8 1 0; 22 10 1 0; 18 12 1 0; 29 17 1 0;M END TP_Nal_78 C29H43NO11 581.2836111959999 RDKit 2D;; 41 45 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.1406 -5.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6041 -7.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7188 -8.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2922 -8.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 14 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 35 41 1 0; 13 4 1 0; 40 38 1 0; 33 4 1 0; 11 5 2 0; 41 6 1 0;M END TP_Nal_79 ['51951-05-4'] C8H16O6 208.094688232 RDKit 2D;; 14 13 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.3923 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.9904 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0;M END TP_Nal_80 C19H25NO6 363.16818751999995 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 19 7 1 0; 25 7 1 0; 14 8 2 0;M END TP_Nal_81 ['298-12-4', '563-96-2'] C2H2O3 74.00039392400001 RDKit 2D;; 5 4 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0; 3 5 1 0;M END TP_Nal_82 ['2194602-18-9'] C33H49NO12 651.3254760079999 RDKit 2D;; 46 50 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 2 0; 38 40 1 0; 17 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 43 45 1 0; 45 46 1 0; 45 4 1 0; 16 7 1 0; 43 7 1 0; 14 8 1 0; 46 9 1 0;M END TP_Nal_83 C25H35NO8 477.2362670799999 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 17 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 32 1 0; 32 33 2 0; 32 34 1 0; 16 7 1 0; 30 7 1 0; 14 8 2 0; 34 9 1 0;M END TP_Nal_84 C19H23NO5 345.157622836 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 5 1 0; 13 7 1 0; 24 14 1 0; 19 12 1 0;M END TP_Nal_85 ['33522-95-1', '33522-95-1', '33522-95-1', '33522-95-1', '33522-95-1'] C16H17NO4 287.115758024 RDKit 2D;; 21 25 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 16 20 1 0; 20 21 1 0; 20 2 1 0; 16 5 1 0; 19 7 1 0; 15 9 1 0; 21 14 1 0;M END TP_Nal_86 C31H47NO10 593.3199967039998 RDKit 2D;; 42 46 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 17 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 39 41 1 0; 41 42 1 0; 41 4 1 0; 16 7 1 0; 39 7 1 0; 14 8 1 0; 42 9 1 0;M END TP_Nal_87 C16H17NO5 303.110672644 RDKit 2D;; 22 25 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 13 4 1 0; 18 4 1 0; 11 5 2 0; 22 6 1 0;M END TP_Nal_88 ['204259-63-2', '59913-86-9', '202326-54-3', '285138-82-1', '95387-98-7', '10344-93-1', '79-10-7', '9003-01-4', '25987-55-7', '55927-87-2'] C3H4O2 72.021129368 RDKit 2D;; 5 4 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0; 3 5 1 0;M END TP_Nal_89 C31H45NO11 607.29926126 RDKit 2D;; 43 48 0 0 0 0 0 0 0 0999 V2000; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 34 42 1 0; 42 43 1 0; 42 20 1 0; 34 23 1 0; 41 39 1 0; 37 25 1 0; 33 27 1 0; 43 32 1 0;M END TP_Nal_90 C19H23NO6 361.15253745599995 RDKit 2D;; 26 30 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 16 25 1 0; 25 26 1 0; 25 2 1 0; 16 5 1 0; 19 7 1 0; 15 9 1 0; 26 14 1 0;M END TP_Nal_91 C19H23NO6 361.15253745599995 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4149 -4.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.2868 -4.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.1012 -4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2159 -5.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5218 -2.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 2 0; 24 26 1 0; 16 7 1 0; 21 7 1 0; 14 8 2 0; 26 9 1 0;M END TP_Nal_92 ['51951-04-3'] C6H12O5 164.068473484 RDKit 2D;; 11 10 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0;M END TP_Nal_93 C33H51NO13 669.3360406919999 RDKit 2D;; 47 51 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.1760 -5.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -31.5463 -4.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -32.7598 -5.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.1406 -5.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6041 -7.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7188 -8.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2922 -8.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 14 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 39 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 41 47 1 0; 13 4 1 0; 46 44 1 0; 39 4 1 0; 11 5 2 0; 47 6 1 0;M END TP_Nal_94 ['2194602-15-6'] C29H43NO9 549.2937819559999 RDKit 2D;; 39 43 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 17 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 38 39 1 0; 38 4 1 0; 16 7 1 0; 36 7 1 0; 14 8 1 0; 39 9 1 0;M END TP_Nal_95 C25H33NO9 491.215531636 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7990 5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 22 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 26 34 1 0; 34 35 1 0; 34 11 1 0; 26 14 1 0; 33 31 1 0; 25 19 1 0; 35 24 1 0;M END TP_Nal_96 C25H35NO9 493.23118169999987 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.0490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 11 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 21 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 34 2 1 0; 10 4 1 0; 34 11 1 0; 20 9 1 0; 18 16 1 0;M END TP_Nal_97 C34H55NO15 717.3571700599999 RDKit 2D;; 50 51 0 0 0 0 0 0 0 0999 V2000; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 20.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 22.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 23.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 24.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 25.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 27.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 28.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 29.8779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 31.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2735 0.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 47 48 1 0; 25 49 1 0; 49 50 1 0; 21 7 1 0; 49 7 1 0;M END TP_Nal_98 C23H31NO7 433.21005233200003 RDKit 2D;; 31 36 0 0 0 0 0 0 0 0999 V2000; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 22 30 1 0; 30 31 1 0; 30 8 1 0; 22 11 1 0; 29 27 1 0; 25 13 1 0; 21 15 1 0; 31 20 1 0;M END TP_Nal_99 C25H37NO9 495.246831764 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 32 1 0; 32 33 1 0; 25 34 1 0; 34 35 1 0; 34 11 1 0; 25 14 1 0; 28 16 1 0; 24 18 1 0; 35 23 1 0;M END TP_Nal_100 C33H49NO12 651.3254760079999 RDKit 2D;; 46 49 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.1760 -5.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -31.5463 -4.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -32.7598 -5.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 2 0; 17 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 42 44 1 0; 44 45 2 0; 44 46 1 0; 16 7 1 0; 42 7 1 0; 14 8 2 0; 46 9 1 0;M END TP_Nal_101 C23H29NO7 431.19440226800003 RDKit 2D;; 31 36 0 0 0 0 0 0 0 0999 V2000; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 22 30 1 0; 30 31 1 0; 30 8 1 0; 22 11 1 0; 29 27 1 0; 25 13 1 0; 21 15 1 0; 31 20 1 0;M END TP_Nal_102 C23H31NO8 449.2049669519999 RDKit 2D;; 32 36 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.0490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 11 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 21 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 31 2 1 0; 10 4 1 0; 31 11 1 0; 20 9 1 0; 18 16 1 0;M END TP_Nal_103 C31H47NO12 625.3098259439998 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 21 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 43 5 1 0; 13 7 1 0; 43 14 1 0; 20 12 1 0;M END TP_Nal_104 C22H31NO8 437.2049669519999 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 14 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 13 4 1 0; 27 4 1 0; 11 5 2 0; 31 6 1 0;M END TP_Nal_105 C12H22O8 294.131467664 RDKit 2D;; 20 19 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 22.0836 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 18 20 1 0;M END TP_Nal_106 C19H25NO8 395.15801675999995 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 8 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 12 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 1 0; 20 4 1 0; 21 7 1 0; 27 7 1 0;M END TP_Nal_107 C18H23NO6 349.15253745599995 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 14 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 23 25 1 0; 13 4 1 0; 21 4 1 0; 11 5 2 0; 25 6 1 0;M END TP_Nal_108 C27H37NO9 519.2468317639999 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 2 0; 10 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 33 35 1 0; 35 36 1 0; 35 37 2 0; 28 4 1 0; 37 30 1 0; 26 7 1 0; 37 7 1 0;M END TP_Nal_109 C19H25NO6 363.16818751999995 RDKit 2D;; 26 30 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.0490 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7735 2.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 6 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 12 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 7 2 1 0; 19 9 1 0; 18 5 1 0; 25 9 1 0; 16 14 1 0;M END TP_Nal_110 C19H25NO5 347.1732729 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 17 4 1 0; 18 7 1 0; 24 7 1 0; 14 8 1 0;M END TP_Nal_111 C26H41NO10 527.273046512 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 18.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 31 2 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 32 36 1 0; 36 37 1 0; 36 17 1 0; 32 20 1 0; 35 22 1 0; 31 24 1 0;M END TP_Nal_112 C29H43NO10 565.2886965759998 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 22 39 1 0; 39 40 1 0; 17 4 1 0; 18 7 1 0; 39 7 1 0; 14 8 1 0;M END TP_Nal_113 C33H53NO13 671.3516907559999 RDKit 2D;; 47 49 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 21 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 46 5 1 0; 14 7 1 0; 46 15 1 0;M END TP_Nal_114 C19H23NO6 361.15253745599995 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 13 15 2 0; 15 16 1 0; 9 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 18 4 1 0; 19 7 1 0; 25 7 1 0; 15 8 1 0;M END TP_Nal_115 ['111964-99-9'] C5H10O3 118.06299418 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0;M END TP_Nal_116 C27H39NO9 521.2624818279999 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 2 0; 22 36 1 0; 36 37 1 0; 17 4 1 0; 18 7 1 0; 36 7 1 0; 14 8 1 0;M END TP_Nal_117 C31H49NO11 611.3305613879999 RDKit 2D;; 43 47 0 0 0 0 0 0 0 0999 V2000; 1.5000 -33.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -32.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -31.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -29.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -28.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -27.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -25.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -24.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -23.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -22.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 38 42 1 0; 42 43 1 0; 42 24 1 0; 38 27 1 0; 41 29 1 0; 37 31 1 0; 43 36 1 0;M END TP_Nal_118 C19H23NO6 361.15253745599995 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 -2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 9 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 5 1 0; 14 7 1 0; 25 15 1 0; 20 13 1 0;M END TP_Nal_119 C23H33NO9 467.21553163599987 RDKit 2D;; 33 35 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7054 1.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 24 32 1 0; 32 33 1 0; 19 4 1 0; 20 7 1 0; 32 7 1 0;M END TP_Nal_120 C27H39NO8 505.2675672079999 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 17 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 35 1 0; 35 36 1 0; 35 4 1 0; 16 7 1 0; 33 7 1 0; 14 8 1 0; 36 9 1 0;M END TP_Nal_121 ['108306-81-6'] C6H12O4 148.073558864 RDKit 2D;; 10 9 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0;M END TP_Nal_122 ['70678-95-4'] C10H20O7 252.12090298 RDKit 2D;; 17 16 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.3923 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.9904 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.5885 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0;M END TP_Nal_123 C18H23NO6 349.15253745599995 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 11 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 17 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 2 1 0; 10 4 1 0; 24 11 1 0; 16 9 1 0;M END TP_Nal_124 C34H53NO13 683.3516907559999 RDKit 2D;; 48 52 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 1 0; 36 38 2 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 39 47 1 0; 47 48 2 0; 47 24 1 0; 39 27 1 0; 46 44 1 0; 42 29 1 0; 38 31 1 0;M END TP_Nal_125 C31H49NO12 627.325476008 RDKit 2D;; 44 48 0 0 0 0 0 0 0 0999 V2000; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 32 33 1 0; 32 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 35 43 1 0; 43 44 1 0; 43 20 1 0; 35 23 1 0; 42 40 1 0; 38 25 1 0; 34 27 1 0;M END TP_Nal_126 C31H47NO11 609.3149113239999 RDKit 2D;; 43 48 0 0 0 0 0 0 0 0999 V2000; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 34 42 1 0; 42 43 1 0; 42 20 1 0; 34 23 1 0; 41 39 1 0; 37 25 1 0; 33 27 1 0; 43 32 1 0;M END TP_Nal_127 C23H29NO8 447.189316888 RDKit 2D;; 32 37 0 0 0 0 0 0 0 0999 V2000; 7.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 23 31 1 0; 31 32 1 0; 31 9 1 0; 23 12 1 0; 30 28 1 0; 26 14 1 0; 22 16 1 0; 32 21 1 0;M END TP_Nal_128 C23H33NO8 451.220617016 RDKit 2D;; 32 36 0 0 0 0 0 0 0 0999 V2000; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 23 31 1 0; 31 32 1 0; 31 8 1 0; 23 11 1 0; 30 28 1 0; 26 13 1 0; 22 15 1 0;M END TP_Nal_129 C34H53NO13 683.3516907559999 RDKit 2D;; 48 52 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 2 0; 43 45 1 0; 45 46 1 0; 38 47 1 0; 47 48 1 0; 47 24 1 0; 38 27 1 0; 41 29 1 0; 37 31 1 0; 48 36 1 0;M END TP_Nal_130 ['345910-00-1', '20758-58-1', '625-45-6'] C3H6O3 90.031694052 RDKit 2D;; 6 5 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 4 6 1 0;M END TP_Nal_131 C19H23NO6 361.15253745599995 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; 5.1588 5.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1385 4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6761 4.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0575 0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5199 -0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.9620 -1.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9418 -2.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5206 -2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6673 -3.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.9628 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4625 -0.8777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5401 1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8138 1.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5377 -3.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 2 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 17 4 1 0; 18 7 1 0; 25 7 1 0; 14 8 1 0;M END TP_Nal_132 ['16024-66-1'] C11H22O7 266.13655304400004 RDKit 2D;; 18 17 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0;M END TP_Nal_133 C31H49NO13 643.3203906279999 RDKit 2D;; 45 48 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1508 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.9832 -0.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.0828 0.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4791 0.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.9707 2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7314 3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0652 4.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9656 5.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5322 5.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5674 6.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.1984 3.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2980 2.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0950 2.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5908 2.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4358 3.6657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.1274 2.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 2 0; 30 32 1 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 2 0; 36 37 1 0; 36 38 1 0; 38 39 2 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 40 44 1 0; 44 45 1 0; 44 24 1 0; 40 27 1 0; 39 33 1 0; 45 38 1 0;M END TP_Nal_134 C34H53NO13 683.3516907559999 RDKit 2D;; 48 50 0 0 0 0 0 0 0 0999 V2000; 7.8704 1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.9887 0.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.4969 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.6152 -0.3991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.1235 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2418 -1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4549 0.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2135 -2.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -3.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1568 -5.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0567 -5.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5271 -5.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7406 -4.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5838 -3.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7974 -2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1677 -3.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.3245 -4.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.3812 -2.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 12 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 39 41 1 0; 41 42 2 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 2 0; 45 47 1 0; 43 48 2 0; 36 7 1 0; 48 38 1 0; 48 7 1 0;M END TP_Nal_135 C34H53NO13 683.3516907559999 RDKit 2D;; 48 51 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.1760 -5.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -31.5463 -4.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -32.7598 -5.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -34.1301 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4149 -4.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.2868 -4.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.1012 -4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2159 -5.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5218 -2.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 17 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 43 45 1 0; 45 46 1 0; 46 47 2 0; 46 48 1 0; 16 7 1 0; 43 7 1 0; 14 8 2 0; 48 9 1 0;M END TP_Nal_136 C26H37NO10 523.241746384 RDKit 2D;; 37 41 0 0 0 0 0 0 0 0999 V2000; 3.0000 -23.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -23.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -24.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -22.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 28 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 32 36 1 0; 36 37 1 0; 36 18 1 0; 32 21 1 0; 35 23 1 0; 31 25 1 0; 37 30 1 0;M END TP_Nal_137 C24H33NO9 479.21553163599987 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 14 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 32 1 0; 32 33 2 0; 32 34 1 0; 13 4 1 0; 30 4 1 0; 11 5 2 0; 34 6 1 0;M END TP_Nal_138 C27H41NO9 523.2781318919998 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 22 36 1 0; 36 37 1 0; 17 4 1 0; 18 7 1 0; 36 7 1 0; 14 8 1 0;M END TP_Nal_139 C19H21NO6 359.13688739200006 RDKit 2D;; 26 30 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.1406 -5.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6041 -7.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7188 -8.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2922 -8.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 20 26 1 0; 13 4 1 0; 25 23 1 0; 18 4 1 0; 11 5 2 0; 26 6 1 0;M END TP_Nal_140 C30H49NO12 615.3254760079999 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 25.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 33 35 1 0; 35 36 1 0; 35 37 2 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 38 42 1 0; 42 43 1 0; 42 23 1 0; 38 26 1 0; 41 28 1 0; 37 30 1 0;M END TP_Nal_141 C19H23NO5 345.157622836 RDKit 2D;; 25 29 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5661 -5.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 13 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 24 4 1 0; 17 7 1 0; 22 7 1 0; 15 8 1 0; 25 9 1 0;M END TP_Nal_142 C28H45NO11 571.29926126 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 21.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 32 33 1 0; 32 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 35 39 1 0; 39 40 1 0; 39 20 1 0; 35 23 1 0; 38 25 1 0; 34 27 1 0;M END TP_Nal_143 C31H49NO13 643.3203906279999 RDKit 2D;; 45 47 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7054 1.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 24 44 1 0; 44 45 1 0; 19 4 1 0; 20 7 1 0; 44 7 1 0;M END TP_Nal_144 C21H27NO5 373.18892296399997 RDKit 2D;; 27 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 17 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 26 4 1 0; 16 7 1 0; 24 7 1 0; 14 8 1 0; 27 9 1 0;M END TP_Nal_145 C25H33NO9 491.21553163599987 RDKit 2D;; 35 38 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 21 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 34 5 1 0; 13 7 1 0; 34 14 1 0; 20 12 1 0;M END TP_Nal_146 ['112-60-7', '127821-00-5', '125481-05-2', '157299-02-0', '9004-76-6'] C8H18O5 194.115423676 RDKit 2D;; 13 12 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0;M END TP_Nal_147 C31H45NO12 623.29417588 RDKit 2D;; 44 48 0 0 0 0 0 0 0 0999 V2000; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7990 5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 31 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 35 43 1 0; 43 44 1 0; 43 20 1 0; 35 23 1 0; 42 40 1 0; 34 28 1 0; 44 33 1 0;M END TP_Nal_148 C8H16O5 192.099773612 RDKit 2D;; 13 12 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0;M END TP_Nal_149 C34H55NO14 701.3622554399999 RDKit 2D;; 49 51 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7054 1.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.0000 15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 24 48 1 0; 48 49 1 0; 19 4 1 0; 20 7 1 0; 48 7 1 0;M END TP_Nal_150 C34H55NO13 685.3673408199999 RDKit 2D;; 48 50 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.0000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 23 47 1 0; 47 48 1 0; 19 7 1 0; 47 7 1 0; 14 8 2 0;M END TP_Nal_151 C31H47NO11 609.3149113239998 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 20 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 42 5 1 0; 13 7 1 0; 42 14 1 0; 19 12 1 0;M END TP_Nal_152 C16H19NO5 305.126322708 RDKit 2D;; 22 25 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 11 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 2 1 0; 10 4 1 0; 21 11 1 0; 16 9 1 0;M END TP_Nal_153 C25H33NO8 475.2206170159999 RDKit 2D;; 34 38 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 17 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 31 33 1 0; 33 34 1 0; 33 4 1 0; 16 7 1 0; 31 7 1 0; 14 8 1 0; 34 9 1 0;M END TP_Nal_154 C33H51NO13 669.336040692 RDKit 2D;; 47 50 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 2 0; 43 45 1 0; 22 46 1 0; 46 47 1 0; 17 4 1 0; 18 7 1 0; 46 7 1 0; 14 8 1 0;M END TP_Nal_155 C21H27NO6 389.183837584 RDKit 2D;; 28 33 0 0 0 0 0 0 0 0999 V2000; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 19 27 1 0; 27 28 1 0; 27 5 1 0; 19 8 1 0; 26 24 1 0; 22 10 1 0; 18 12 1 0; 28 17 1 0;M END TP_Nal_156 C30H47NO12 613.3098259439998 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 11 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 17 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 42 2 1 0; 10 4 1 0; 42 11 1 0; 16 9 1 0;M END TP_Nal_157 C24H33NO9 479.215531636 RDKit 2D;; 34 38 0 0 0 0 0 0 0 0999 V2000; -0.7500 -19.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 29 33 1 0; 33 34 1 0; 33 15 1 0; 29 18 1 0; 32 20 1 0; 28 22 1 0; 34 27 1 0;M END TP_Nal_158 C31H49NO13 643.320390628 RDKit 2D;; 45 48 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 35 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 2 0; 41 43 1 0; 39 44 1 0; 44 45 1 0; 44 24 1 0; 39 27 1 0; 38 32 1 0; 45 37 1 0;M END TP_Nal_159 C34H53NO12 667.3567761359999 RDKit 2D;; 47 50 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.1760 -5.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -31.5463 -4.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -32.7598 -5.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -34.1301 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 17 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 43 45 1 0; 45 46 2 0; 45 47 1 0; 16 7 1 0; 43 7 1 0; 14 8 2 0; 47 9 1 0;M END TP_Nal_160 C33H53NO12 655.356776136 RDKit 2D;; 46 49 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 22 45 1 0; 45 46 1 0; 17 4 1 0; 18 7 1 0; 45 7 1 0; 14 8 1 0;M END TP_Nal_161 C21H29NO7 407.194402268 RDKit 2D;; 29 33 0 0 0 0 0 0 0 0999 V2000; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 19 28 1 0; 28 29 1 0; 28 5 1 0; 19 8 1 0; 22 10 1 0; 18 12 1 0; 29 17 1 0;M END TP_Nal_162 C31H49NO12 627.325476008 RDKit 2D;; 44 48 0 0 0 0 0 0 0 0999 V2000; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 39 41 1 0; 41 42 1 0; 34 43 1 0; 43 44 1 0; 43 20 1 0; 34 23 1 0; 37 25 1 0; 33 27 1 0; 44 32 1 0;M END TP_Nal_163 C21H25NO7 403.16310214 RDKit 2D;; 29 34 0 0 0 0 0 0 0 0999 V2000; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 20 28 1 0; 28 29 1 0; 28 6 1 0; 20 9 1 0; 27 25 1 0; 23 11 1 0; 19 13 1 0; 29 18 1 0;M END TP_Nal_164 C24H32O10 480.1995472239999 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 14 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 32 1 0; 32 33 2 0; 32 34 1 0; 13 4 1 0; 30 4 1 0; 11 5 2 0; 34 6 1 0;M END TP_Nal_165 C34H57NO14 703.377905504 RDKit 2D;; 49 52 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 1 0; 36 38 2 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 44 46 1 0; 46 47 1 0; 39 48 1 0; 48 49 1 0; 48 24 1 0; 39 27 1 0; 42 29 1 0; 38 31 1 0;M END TP_Nal_166 C27H37NO9 519.2468317639999 RDKit 2D;; 37 42 0 0 0 0 0 0 0 0999 V2000; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 28 36 1 0; 36 37 1 0; 36 14 1 0; 28 17 1 0; 35 33 1 0; 31 19 1 0; 27 21 1 0; 37 26 1 0;M END TP_Nal_167 ['112-35-6'] C7H16O4 164.104858992 RDKit 2D;; 11 10 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0;M END TP_Nal_168 C18H21NO5 331.14197277200003 RDKit 2D;; 24 28 0 0 0 0 0 0 0 0999 V2000; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 19 23 1 0; 23 24 1 0; 23 5 1 0; 19 8 1 0; 22 10 1 0; 18 12 1 0; 24 17 1 0;M END TP_Nal_169 C19H23NO5 345.157622836 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 2 0; 22 24 1 0; 24 25 1 0; 17 4 1 0; 18 7 1 0; 24 7 1 0; 14 8 1 0;M END TP_Nal_170 C29H41NO10 563.273046512 RDKit 2D;; 40 45 0 0 0 0 0 0 0 0999 V2000; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 31 39 1 0; 39 40 1 0; 39 17 1 0; 31 20 1 0; 38 36 1 0; 34 22 1 0; 30 24 1 0; 40 29 1 0;M END TP_Nal_171 C19H23NO6 361.15253745599995 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 5 1 0; 14 7 1 0; 25 15 1 0;M END TP_Nal_172 C34H53NO13 683.3516907559999 RDKit 2D;; 48 50 0 0 0 0 0 0 0 0999 V2000; 7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2735 0.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 10 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 38 39 2 0; 38 40 1 0; 40 41 1 0; 41 42 2 0; 42 43 1 0; 43 44 2 0; 44 45 1 0; 44 46 1 0; 46 47 1 0; 46 48 2 0; 36 7 1 0; 48 41 1 0; 48 7 1 0;M END TP_Nal_173 ['63101-50-8', '35907-63-2', '4906-87-0', '3228-27-1', '89277-65-6', '3046-49-9', '24286-05-3', '1664-98-8', '32008-59-6', '50-00-0', '30525-89-4'] CH2O 30.010564684 RDKit 2D;; 2 1 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0;M END TP_Nal_174 C33H51NO13 669.3360406919999 RDKit 2D;; 47 50 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 21 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 46 5 1 0; 13 7 1 0; 46 14 1 0; 20 12 1 0;M END TP_Nal_175 C31H46O14 642.288756152 RDKit 2D;; 45 48 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 35 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 2 0; 41 43 1 0; 39 44 1 0; 44 45 1 0; 44 24 1 0; 39 27 1 0; 38 32 1 0; 45 37 1 0;M END TP_Nal_176 ['52026-48-9'] C12H24O8 296.147117728 RDKit 2D;; 20 19 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.3923 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.9904 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.5885 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.1865 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -20.7846 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0;M END TP_Nal_177 C19H23NO8 393.14236669599995 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 8 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 12 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 1 0; 20 4 1 0; 21 7 1 0; 27 7 1 0;M END TP_Nal_178 C24H37NO9 483.246831764 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 15.0000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 26 28 2 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 29 33 1 0; 33 34 1 0; 33 14 1 0; 29 17 1 0; 32 19 1 0; 28 21 1 0;M END TP_Nal_179 C29H41NO11 579.2679611319999 RDKit 2D;; 41 44 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 2 0; 21 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 40 5 1 0; 13 7 1 0; 40 14 1 0; 20 12 1 0;M END TP_Nal_180 C34H55NO14 701.3622554399998 RDKit 2D;; 49 51 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.0000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 15 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 22 46 1 0; 46 47 1 0; 47 48 1 0; 48 49 1 0; 48 5 1 0; 14 7 1 0; 48 15 1 0;M END TP_Nal_181 ['112-27-6', '119438-10-7', '103734-98-1', '122784-99-0', '137800-98-7', '145112-98-7'] C6H14O4 150.089208928 RDKit 2D;; 10 9 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0;M END TP_Nal_182 C25H37NO9 495.246831764 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 2 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 26 34 1 0; 34 35 1 0; 34 11 1 0; 26 14 1 0; 33 31 1 0; 29 16 1 0; 25 18 1 0;M END TP_Nal_183 C33H51NO12 653.341126072 RDKit 2D;; 46 51 0 0 0 0 0 0 0 0999 V2000; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 33 35 1 0; 35 36 2 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 37 45 1 0; 45 46 1 0; 45 23 1 0; 37 26 1 0; 44 42 1 0; 40 28 1 0; 36 30 1 0; 46 35 1 0;M END TP_Nal_184 C25H33NO8 475.22061701599995 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 10 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 32 33 1 0; 32 34 2 0; 25 4 1 0; 34 27 1 0; 23 7 1 0; 34 7 1 0;M END TP_Nal_185 C31H45NO12 623.2941758800001 RDKit 2D;; 44 49 0 0 0 0 0 0 0 0999 V2000; 21.0000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 31 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 35 43 1 0; 43 44 1 0; 43 21 1 0; 35 24 1 0; 42 40 1 0; 38 26 1 0; 34 28 1 0; 44 33 1 0;M END TP_Nal_186 C19H21NO5 343.141972772 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 2 0; 16 4 1 0; 25 18 1 0; 14 7 1 0; 25 7 1 0;M END TP_Nal_187 C21H25NO7 403.16310214000003 RDKit 2D;; 29 33 0 0 0 0 0 0 0 0999 V2000; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7990 5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 20 28 1 0; 28 29 1 0; 28 5 1 0; 20 8 1 0; 27 25 1 0; 19 13 1 0; 29 18 1 0;M END TP_Nal_188 C34H55NO14 701.36225544 RDKit 2D;; 49 52 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.2990 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3038 1.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 29 35 1 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 39 41 1 0; 41 42 1 0; 41 43 2 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 2 0; 44 48 1 0; 48 49 1 0; 48 24 1 0; 44 27 1 0; 34 32 1 0; 43 36 1 0;M END TP_Nal_189 C27H37NO10 535.2417463839998 RDKit 2D;; 38 41 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 37 5 1 0; 13 7 1 0; 37 14 1 0; 20 12 1 0;M END TP_Nal_190 C19H23NO6 361.15253745599995 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 19 7 1 0; 25 7 1 0; 14 8 2 0;M END TP_Nal_191 C19H23NO7 377.1474520759999 RDKit 2D;; 27 29 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7054 1.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 24 26 1 0; 26 27 1 0; 19 4 1 0; 20 7 1 0; 26 7 1 0;M END TP_Nal_192 C23H31NO7 433.2100523319999 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 17 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 16 7 1 0; 27 7 1 0; 14 8 2 0; 31 9 1 0;M END TP_Nal_193 C31H51NO14 661.3309553119999 RDKit 2D;; 46 48 0 0 0 0 0 0 0 0999 V2000; 1.5000 -33.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -32.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -31.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -29.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -28.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -27.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -25.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -24.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -23.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -22.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4134 -4.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 2 0; 36 38 1 0; 31 39 1 0; 39 40 2 0; 39 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 41 45 1 0; 45 46 1 0; 45 24 1 0; 41 27 1 0; 44 29 1 0;M END TP_Nal_194 C21H27NO7 405.1787522039999 RDKit 2D;; 29 32 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4149 -4.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.2868 -4.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.1012 -4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2159 -5.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5218 -2.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 17 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 16 7 1 0; 24 7 1 0; 14 8 2 0; 29 9 1 0;M END TP_Nal_195 C25H37NO9 495.24683176399986 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 21 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 34 5 1 0; 14 7 1 0; 34 15 1 0;M END TP_Nal_196 C23H31NO8 449.2049669519999 RDKit 2D;; 32 34 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 23 31 1 0; 31 32 1 0; 19 7 1 0; 31 7 1 0; 14 8 2 0;M END TP_Nal_197 C12H24O7 280.15220310800004 RDKit 2D;; 19 18 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 22.0836 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0;M END TP_Nal_198 ['16024-56-9'] C5H10O4 134.0579088 RDKit 2D;; 9 8 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0;M END TP_Nal_199 C34H53NO14 699.346605376 RDKit 2D;; 49 53 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1508 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.9832 -0.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.0828 0.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4791 0.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.9707 2.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7314 3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0652 4.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9656 5.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5322 5.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5674 6.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.1984 3.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2980 2.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0950 2.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5908 2.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4358 3.6657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.9316 3.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7766 4.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8886 6.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.1280 5.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.1274 2.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 2 0; 30 32 1 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 2 0; 36 37 1 0; 36 38 1 0; 38 39 2 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 40 48 1 0; 48 49 1 0; 48 24 1 0; 40 27 1 0; 47 45 1 0; 39 33 1 0; 49 38 1 0;M END TP_Nal_200 C34H55NO12 669.3724262 RDKit 2D;; 47 50 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 22 46 1 0; 46 47 1 0; 17 4 1 0; 18 7 1 0; 46 7 1 0; 14 8 1 0;M END TP_Nal_201 C19H21NO5 343.141972772 RDKit 2D;; 25 30 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 16 24 1 0; 24 25 1 0; 24 2 1 0; 16 5 1 0; 23 21 1 0; 19 7 1 0; 15 9 1 0; 25 14 1 0;M END TP_Nal_202 ['23778-52-1'] C11H24O6 252.157288488 RDKit 2D;; 17 16 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0;M END TP_Nal_203 C27H39NO9 521.262481828 RDKit 2D;; 37 42 0 0 0 0 0 0 0 0999 V2000; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 28 36 1 0; 36 37 1 0; 36 14 1 0; 28 17 1 0; 35 33 1 0; 31 19 1 0; 27 21 1 0; 37 26 1 0;M END TP_Nal_204 C23H29NO7 431.1944022679999 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 17 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 16 7 1 0; 27 7 1 0; 14 8 2 0; 31 9 1 0;M END TP_Nal_205 C27H39NO10 537.2573964479998 RDKit 2D;; 38 41 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 21 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 37 5 1 0; 13 7 1 0; 37 14 1 0; 20 12 1 0;M END TP_Nal_206 C28H43NO11 569.2836111959998 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 11 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 17 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 39 2 1 0; 10 4 1 0; 39 11 1 0; 16 9 1 0;M END TP_Nal_207 C21H27NO7 405.17875220400003 RDKit 2D;; 29 33 0 0 0 0 0 0 0 0999 V2000; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 20 28 1 0; 28 29 1 0; 28 5 1 0; 20 8 1 0; 27 25 1 0; 23 10 1 0; 19 12 1 0;M END TP_Nal_208 C21H29NO7 407.1944022679999 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 23 28 1 0; 28 29 1 0; 19 7 1 0; 28 7 1 0; 14 8 2 0;M END TP_Nal_209 C22H29NO8 435.1893168879999 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 14 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 13 4 1 0; 27 4 1 0; 11 5 2 0; 31 6 1 0;M END TP_Nal_210 C27H39NO10 537.2573964479998 RDKit 2D;; 38 42 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.0490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 11 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 21 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 37 2 1 0; 10 4 1 0; 37 11 1 0; 20 9 1 0; 18 16 1 0;M END TP_Nal_211 C33H53NO13 671.351690756 RDKit 2D;; 47 51 0 0 0 0 0 0 0 0999 V2000; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 33 35 1 0; 35 36 2 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 42 44 1 0; 44 45 1 0; 37 46 1 0; 46 47 1 0; 46 23 1 0; 37 26 1 0; 40 28 1 0; 36 30 1 0; 47 35 1 0;M END TP_Nal_212 C28H43NO11 569.2836111959998 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 14 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 38 39 2 0; 38 40 1 0; 13 4 1 0; 36 4 1 0; 11 5 2 0; 40 6 1 0;M END TP_Nal_213 C25H35NO9 493.2311817 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 32 1 0; 32 33 1 0; 25 34 1 0; 34 35 1 0; 34 11 1 0; 25 14 1 0; 28 16 1 0; 24 18 1 0; 35 23 1 0;M END TP_Nal_214 C31H47NO12 625.3098259439998 RDKit 2D;; 44 48 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.1406 -5.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6041 -7.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7188 -8.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2922 -8.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 14 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 38 44 1 0; 13 4 1 0; 43 41 1 0; 36 4 1 0; 11 5 2 0; 44 6 1 0;M END TP_Nal_215 C25H35NO9 493.2311817 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.1406 -5.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6041 -7.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7188 -8.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2922 -8.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 14 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 29 35 1 0; 13 4 1 0; 34 32 1 0; 27 4 1 0; 11 5 2 0; 35 6 1 0;M END TP_Nal_216 C19H23NO6 361.152537456 RDKit 2D;; 26 31 0 0 0 0 0 0 0 0999 V2000; -1.6839 -7.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5271 -5.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7406 -4.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5838 -3.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -3.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.1568 -5.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0567 -5.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4889 -2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.6500 -1.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8500 -1.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 6 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 19 24 1 0; 24 25 1 0; 25 26 1 0; 7 2 1 0; 26 10 1 0; 18 4 1 0; 23 21 1 0; 26 5 1 0; 26 15 1 0;M END TP_Nal_217 C6H10O5 162.05282342 RDKit 2D;; 11 10 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0;M END TP_Nal_218 C34H53NO14 699.3466053760001 RDKit 2D;; 49 53 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.2990 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 29 35 1 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 39 41 1 0; 41 42 2 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 2 0; 45 47 1 0; 43 48 1 0; 48 49 1 0; 48 24 1 0; 43 27 1 0; 34 32 1 0; 42 36 1 0; 49 41 1 0;M END TP_Nal_219 C29H43NO10 565.2886965759998 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 17 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 38 39 2 0; 38 40 1 0; 16 7 1 0; 36 7 1 0; 14 8 2 0; 40 9 1 0;M END TP_Nal_220 C21H29NO6 391.19948764799994 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 22 27 1 0; 27 28 1 0; 17 4 1 0; 18 7 1 0; 27 7 1 0; 14 8 1 0;M END TP_Nal_221 C33H49NO13 667.3203906279999 RDKit 2D;; 47 50 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 2 0; 41 43 1 0; 20 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 46 5 1 0; 13 7 1 0; 46 14 1 0; 19 12 1 0;M END TP_Nal_222 C31H45NO12 623.2941758799999 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 2 0; 38 40 1 0; 20 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 43 5 1 0; 13 7 1 0; 43 14 1 0; 19 12 1 0;M END TP_Nal_223 C23H29NO8 447.1893168879999 RDKit 2D;; 32 35 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.9323 -4.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 17 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 28 30 1 0; 30 31 2 0; 30 32 1 0; 16 7 1 0; 28 7 1 0; 14 8 2 0; 32 9 1 0;M END TP_Nal_224 C27H37NO10 535.241746384 RDKit 2D;; 38 43 0 0 0 0 0 0 0 0999 V2000; 14.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 29 37 1 0; 37 38 1 0; 37 15 1 0; 29 18 1 0; 36 34 1 0; 32 20 1 0; 28 22 1 0; 38 27 1 0;M END TP_Nal_225 C28H41NO11 567.267961132 RDKit 2D;; 40 44 0 0 0 0 0 0 0 0999 V2000; -0.7500 -27.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -27.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -28.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -25.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -24.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -23.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -22.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 31 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 35 39 1 0; 39 40 1 0; 39 21 1 0; 35 24 1 0; 38 26 1 0; 34 28 1 0; 40 33 1 0;M END TP_Nal_226 C27H39NO9 521.2624818279999 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 20 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 5 1 0; 13 7 1 0; 36 14 1 0; 19 12 1 0;M END TP_Nal_227 C19H21NO5 343.141972772 RDKit 2D;; 25 29 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5661 -5.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 13 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 24 4 1 0; 17 7 1 0; 22 7 1 0; 15 8 1 0; 25 9 1 0;M END TP_Nal_228 C34H55NO13 685.3673408199999 RDKit 2D;; 48 52 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 43 45 1 0; 45 46 1 0; 38 47 1 0; 47 48 1 0; 47 24 1 0; 38 27 1 0; 41 29 1 0; 37 31 1 0; 48 36 1 0;M END TP_Nal_229 C21H25NO7 403.1631021399999 RDKit 2D;; 29 32 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 20 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 28 5 1 0; 13 7 1 0; 28 14 1 0; 19 12 1 0;M END TP_Nal_230 C33H51NO13 669.3360406919999 RDKit 2D;; 47 50 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.1760 -5.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -31.5463 -4.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -32.7598 -5.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4149 -4.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.2868 -4.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.1012 -4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2159 -5.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5218 -2.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 17 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 42 44 1 0; 44 45 1 0; 45 46 2 0; 45 47 1 0; 16 7 1 0; 42 7 1 0; 14 8 2 0; 47 9 1 0;M END TP_Nal_231 C33H51NO12 653.3411260719998 RDKit 2D;; 46 49 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 20 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 45 5 1 0; 13 7 1 0; 45 14 1 0; 19 12 1 0;M END TP_Nal_232 C23H31NO8 449.2049669519999 RDKit 2D;; 32 35 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 21 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 31 5 1 0; 13 7 1 0; 31 14 1 0; 20 12 1 0;M END TP_Nal_233 ['75427-75-7'] C15H30O9 354.1889825399999 RDKit 2D;; 24 23 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 22.0836 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.3827 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.6817 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.9808 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 27.2798 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 27.2798 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 28.5788 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 2 0; 22 24 1 0;M END TP_Nal_234 C21H27NO7 405.1787522039999 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 23 28 1 0; 28 29 1 0; 19 7 1 0; 28 7 1 0; 14 8 2 0;M END TP_Nal_235 ['111-77-3'] C5H12O3 120.078644244 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0;M END TP_Nal_236 C31H49NO12 627.3254760079999 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 35 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 39 43 1 0; 43 44 1 0; 43 24 1 0; 39 27 1 0; 38 32 1 0; 44 37 1 0;M END TP_Nal_237 C24H35NO9 481.23118169999987 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 14 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 32 1 0; 32 33 2 0; 32 34 1 0; 13 4 1 0; 30 4 1 0; 11 5 2 0; 34 6 1 0;M END TP_Nal_238 C23H31NO7 433.2100523319999 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 2 0; 22 30 1 0; 30 31 1 0; 17 4 1 0; 18 7 1 0; 30 7 1 0; 14 8 1 0;M END TP_Nal_239 C25H37NO9 495.24683176399986 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 23 34 1 0; 34 35 1 0; 19 7 1 0; 34 7 1 0; 14 8 2 0;M END TP_Nal_240 C27H37NO10 535.2417463839998 RDKit 2D;; 38 41 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.6838 -5.8065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 29 31 1 0; 17 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 34 36 1 0; 36 37 2 0; 36 38 1 0; 16 7 1 0; 34 7 1 0; 14 8 2 0; 38 9 1 0;M END TP_Nal_241 C33H53NO13 671.3516907559999 RDKit 2D;; 47 49 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 23 46 1 0; 46 47 1 0; 19 7 1 0; 46 7 1 0; 14 8 2 0;M END TP_Nal_242 C29H45NO12 599.2941758799999 RDKit 2D;; 42 44 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7054 1.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 24 41 1 0; 41 42 1 0; 19 4 1 0; 20 7 1 0; 41 7 1 0;M END TP_Nal_243 ['64821-53-0', '64821-54-1', '765-34-4'] C3H4O2 72.021129368 RDKit 2D;; 5 5 0 0 0 0 0 0 0 0999 V2000; 3.1160 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4330 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4330 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 3 1 0;M END TP_Nal_244 C25H35NO7 461.2413524599999 RDKit 2D;; 33 37 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 17 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 32 1 0; 32 33 1 0; 32 4 1 0; 16 7 1 0; 30 7 1 0; 14 8 1 0; 33 9 1 0;M END TP_Nal_245 C4H6O4 118.02660867200001 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 6 8 1 0;M END TP_Nal_246 C23H29NO7 431.1944022679999 RDKit 2D;; 31 35 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 17 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 28 30 1 0; 30 31 1 0; 30 4 1 0; 16 7 1 0; 28 7 1 0; 14 8 1 0; 31 9 1 0;M END TP_Nal_247 C19H21NO6 359.13688739199995 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 5 1 0; 13 7 1 0; 25 14 1 0; 20 12 1 0;M END TP_Nal_248 C25H37NO8 479.2519171439999 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 22 33 1 0; 33 34 1 0; 17 4 1 0; 18 7 1 0; 33 7 1 0; 14 8 1 0;M END TP_Nal_249 C29H43NO10 565.2886965759998 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 10 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 29 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 2 0; 36 37 1 0; 36 38 1 0; 38 39 1 0; 38 40 2 0; 31 4 1 0; 40 33 1 0; 29 7 1 0; 40 7 1 0;M END TP_Nal_250 C29H43NO11 581.2836111959998 RDKit 2D;; 41 44 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 21 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 40 5 1 0; 13 7 1 0; 40 14 1 0; 20 12 1 0;M END TP_Nal_251 C34H55NO14 701.3622554399999 RDKit 2D;; 49 51 0 0 0 0 0 0 0 0999 V2000; -7.3988 2.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.9364 2.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4943 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.0319 0.7287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.5898 -0.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1274 -1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6852 -2.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9888 0.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.6852 -2.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3515 -3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5242 -4.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -4.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.3515 -3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1279 -5.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -4.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8844 -4.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2182 -3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.6515 -2.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.7511 -3.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1845 -3.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2840 -4.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.7174 -3.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.8170 -4.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.2503 -4.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.3499 -5.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7833 -4.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.8829 -5.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.3162 -5.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.4158 -6.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -20.8492 -6.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -21.9487 -7.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.3821 -6.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.4817 -7.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -25.9150 -7.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.0146 -8.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.4480 -7.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -29.5475 -8.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -30.9809 -8.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -32.0805 -9.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -33.5138 -8.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1186 -2.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5628 -1.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 24 48 1 0; 48 49 1 0; 20 7 1 0; 48 7 1 0; 14 8 2 0;M END TP_Nal_252 ['4792-15-8', '113894-92-1'] C10H22O6 238.141638424 RDKit 2D;; 16 15 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0;M END TP_Nal_253 C21H25NO6 387.16818751999995 RDKit 2D;; 28 32 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 17 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 1 0; 27 4 1 0; 16 7 1 0; 25 7 1 0; 14 8 1 0; 28 9 1 0;M END TP_Nal_254 C26H39NO10 525.2573964479998 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 14 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 35 1 0; 35 36 2 0; 35 37 1 0; 13 4 1 0; 33 4 1 0; 11 5 2 0; 37 6 1 0;M END TP_Nal_255 C29H43NO11 581.2836111959998 RDKit 2D;; 41 44 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 37 39 1 0; 22 40 1 0; 40 41 1 0; 17 4 1 0; 18 7 1 0; 40 7 1 0; 14 8 1 0;M END TP_Nal_256 C31H45NO11 607.2992612599999 RDKit 2D;; 43 47 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 2 0; 35 37 1 0; 17 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 40 42 1 0; 42 43 1 0; 42 4 1 0; 16 7 1 0; 40 7 1 0; 14 8 1 0; 43 9 1 0;M END TP_Nal_257 C19H21NO6 359.13688739199995 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 -2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 9 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 5 1 0; 14 7 1 0; 25 15 1 0; 20 13 1 0;M END TP_Nal_258 C29H45NO11 583.2992612599999 RDKit 2D;; 41 43 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 23 40 1 0; 40 41 1 0; 19 7 1 0; 40 7 1 0; 14 8 2 0;M END TP_Nal_259 ['2194602-16-7'] C27H37NO9 519.2468317639998 RDKit 2D;; 37 41 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 29 31 1 0; 17 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 34 36 1 0; 36 37 1 0; 36 4 1 0; 16 7 1 0; 34 7 1 0; 14 8 1 0; 37 9 1 0;M END TP_Nal_260 C23H31NO8 449.2049669519999 RDKit 2D;; 32 35 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 2 0; 28 30 1 0; 22 31 1 0; 31 32 1 0; 17 4 1 0; 18 7 1 0; 31 7 1 0; 14 8 1 0;M END TP_Nal_261 C33H51NO12 653.3411260719998 RDKit 2D;; 46 49 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.1760 -5.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -31.5463 -4.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -32.7598 -5.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 17 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 42 44 1 0; 44 45 2 0; 44 46 1 0; 16 7 1 0; 42 7 1 0; 14 8 2 0; 46 9 1 0;M END TP_Nal_262 C29H41NO11 579.2679611319999 RDKit 2D;; 41 44 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 2 0; 35 37 1 0; 20 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 40 5 1 0; 13 7 1 0; 40 14 1 0; 19 12 1 0;M END TP_Nal_263 ['478529-67-8', '478529-69-0', '71122-42-4', '141-46-8'] C2H4O2 60.021129368000004 RDKit 2D;; 4 3 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0;M END TP_Nal_264 C34H53NO13 683.3516907559999 RDKit 2D;; 48 51 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.0000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 21 45 1 0; 45 46 1 0; 46 47 1 0; 47 48 1 0; 47 5 1 0; 13 7 1 0; 47 14 1 0; 20 12 1 0;M END TP_Nal_265 C18H23NO5 333.15762283600003 RDKit 2D;; 24 28 0 0 0 0 0 0 0 0999 V2000; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 19 23 1 0; 23 24 1 0; 23 5 1 0; 19 8 1 0; 22 10 1 0; 18 12 1 0; 24 17 1 0;M END TP_Nal_266 C31H45NO12 623.2941758799999 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.4353 -6.6213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 2 0; 35 37 1 0; 17 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 40 42 1 0; 42 43 2 0; 42 44 1 0; 16 7 1 0; 40 7 1 0; 14 8 2 0; 44 9 1 0;M END TP_Nal_267 ['10312-83-1'] C3H6O2 74.036779432 RDKit 2D;; 5 4 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0;M END TP_Nal_268 C20H27NO6 377.18383758400006 RDKit 2D;; 27 31 0 0 0 0 0 0 0 0999 V2000; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 22 26 1 0; 26 27 1 0; 26 8 1 0; 22 11 1 0; 25 13 1 0; 21 15 1 0; 27 20 1 0;M END TP_Nal_269 C22H31NO7 421.21005233200003 RDKit 2D;; 30 34 0 0 0 0 0 0 0 0999 V2000; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 25 29 1 0; 29 30 1 0; 29 11 1 0; 25 14 1 0; 28 16 1 0; 24 18 1 0; 30 23 1 0;M END TP_Nal_270 C23H29NO6 415.19948764799994 RDKit 2D;; 30 34 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 17 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 4 1 0; 16 7 1 0; 27 7 1 0; 14 8 1 0; 30 9 1 0;M END TP_Nal_271 ['115005-76-0', '503-11-7', '114990-90-8'] C3H4O3 88.016043988 RDKit 2D;; 6 6 0 0 0 0 0 0 0 0999 V2000; 3.1160 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1160 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4330 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4330 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 4 1 0;M END TP_Nal_272 C23H33NO8 451.2206170159999 RDKit 2D;; 32 34 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 21 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 31 5 1 0; 14 7 1 0; 31 15 1 0;M END TP_Nal_273 C27H41NO10 539.2730465119998 RDKit 2D;; 38 40 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 23 37 1 0; 37 38 1 0; 19 7 1 0; 37 7 1 0; 14 8 2 0;M END TP_Nal_274 C27H41NO10 539.273046512 RDKit 2D;; 38 42 0 0 0 0 0 0 0 0999 V2000; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 26 28 2 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 29 37 1 0; 37 38 1 0; 37 14 1 0; 29 17 1 0; 36 34 1 0; 32 19 1 0; 28 21 1 0;M END TP_Nal_275 ['23601-40-3'] C13H28O7 296.183503236 RDKit 2D;; 20 19 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 22.0836 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.3827 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.6817 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0;M END TP_Nal_276 ['58691-01-3', '20410-95-1'] C19H23NO4 329.162708216 RDKit 2D;; 24 28 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 4 1 0; 16 7 1 0; 21 7 1 0; 14 8 1 0; 24 9 1 0;M END TP_Nal_277 C29H45NO11 583.29926126 RDKit 2D;; 41 45 0 0 0 0 0 0 0 0999 V2000; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 31 2 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 32 40 1 0; 40 41 1 0; 40 17 1 0; 32 20 1 0; 39 37 1 0; 35 22 1 0; 31 24 1 0;M END TP_Nal_278 C10H18O7 250.105252916 RDKit 2D;; 17 16 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 15 17 1 0;M END TP_Nal_279 C33H49NO12 651.325476008 RDKit 2D;; 46 51 0 0 0 0 0 0 0 0999 V2000; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 33 35 1 0; 35 36 2 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 37 45 1 0; 45 46 1 0; 45 23 1 0; 37 26 1 0; 44 42 1 0; 40 28 1 0; 36 30 1 0; 46 35 1 0;M END TP_Nal_280 ['16142-03-3'] C13H26O8 310.16276779199995 RDKit 2D;; 21 20 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 22.0836 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.3827 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.3827 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 24.6817 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0;M END TP_Nal_281 C31H49NO12 627.325476008 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 35 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 2 0; 39 43 1 0; 43 44 1 0; 43 24 1 0; 39 27 1 0; 38 32 1 0; 44 37 1 0;M END TP_Nal_282 C25H35NO9 493.23118169999987 RDKit 2D;; 35 38 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4149 -4.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.2868 -4.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.1012 -4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2159 -5.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5218 -2.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 17 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 32 1 0; 32 33 1 0; 33 34 2 0; 33 35 1 0; 16 7 1 0; 30 7 1 0; 14 8 2 0; 35 9 1 0;M END TP_Nal_283 C24H35NO9 481.23118169999987 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 11 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 17 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 2 1 0; 10 4 1 0; 33 11 1 0; 16 9 1 0;M END TP_Nal_284 C23H31NO8 449.204966952 RDKit 2D;; 32 36 0 0 0 0 0 0 0 0999 V2000; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 23 31 1 0; 31 32 1 0; 31 8 1 0; 23 11 1 0; 30 28 1 0; 26 13 1 0; 22 15 1 0;M END TP_Nal_285 C26H37NO9 507.246831764 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; 0.7500 -24.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -23.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -22.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 31 35 1 0; 35 36 1 0; 35 17 1 0; 31 20 1 0; 34 22 1 0; 30 24 1 0; 36 29 1 0;M END TP_Nal_286 C34H53NO12 667.3567761359999 RDKit 2D;; 47 50 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.0000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 20 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 46 5 1 0; 13 7 1 0; 46 14 1 0; 19 12 1 0;M END TP_Nal_287 C16H21NO5 307.141972772 RDKit 2D;; 22 25 0 0 0 0 0 0 0 0999 V2000; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 6 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 7 2 1 0; 15 9 1 0; 14 5 1 0; 21 9 1 0;M END TP_Nal_288 ['141981-62-6'] C9H18O5 206.115423676 RDKit 2D;; 14 13 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0;M END TP_Nal_289 C23H33NO7 435.2257023959999 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 22 30 1 0; 30 31 1 0; 17 4 1 0; 18 7 1 0; 30 7 1 0; 14 8 1 0;M END TP_Nal_290 C23H31NO7 433.2100523319999 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 20 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 5 1 0; 13 7 1 0; 30 14 1 0; 19 12 1 0;M END TP_Nal_291 ['23783-42-8'] C9H20O5 208.13107374 RDKit 2D;; 14 13 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0;M END TP_Nal_292 C31H49NO12 627.3254760079999 RDKit 2D;; 44 46 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 23 43 1 0; 43 44 1 0; 19 7 1 0; 43 7 1 0; 14 8 2 0;M END TP_Nal_293 ['1173019-38-9', '107-11-9', '30551-89-4'] C3H7N 57.057849223999995 RDKit 2D;; 4 3 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0;M END TP_Nal_294 C31H47NO12 625.309825944 RDKit 2D;; 44 48 0 0 0 0 0 0 0 0999 V2000; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 32 33 1 0; 32 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 35 43 1 0; 43 44 1 0; 43 20 1 0; 35 23 1 0; 42 40 1 0; 38 25 1 0; 34 27 1 0;M END TP_Nal_295 C31H46O13 626.293841532 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 35 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 2 0; 39 43 1 0; 43 44 1 0; 43 24 1 0; 39 27 1 0; 38 32 1 0; 44 37 1 0;M END TP_Nal_296 C23H31NO7 433.2100523319999 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 31 2 0; 22 4 1 0; 31 24 1 0; 20 7 1 0; 31 7 1 0;M END TP_Nal_297 C27H39NO10 537.2573964479998 RDKit 2D;; 38 41 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4149 -4.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.2868 -4.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.1012 -4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2159 -5.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5218 -2.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 17 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 16 7 1 0; 33 7 1 0; 14 8 2 0; 38 9 1 0;M END TP_Nal_298 C29H43NO11 581.2836111959998 RDKit 2D;; 41 44 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4149 -4.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.2868 -4.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.1012 -4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2159 -5.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5218 -2.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 17 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 38 39 1 0; 39 40 2 0; 39 41 1 0; 16 7 1 0; 36 7 1 0; 14 8 2 0; 41 9 1 0;M END TP_Nal_299 C19H23NO5 345.157622836 RDKit 2D;; 25 30 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 2.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 3.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.1568 5.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0567 5.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5271 5.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7406 4.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5838 3.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.9542 3.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7974 2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9353 0.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0743 1.3737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -4.8541 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.2244 0.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7162 0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.1061 1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.3434 1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6962 1.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2135 2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 18 23 1 0; 23 24 1 0; 24 25 1 0; 7 2 1 0; 25 9 1 0; 17 5 1 0; 22 20 1 0; 25 6 1 0; 25 14 1 0;M END TP_Nal_300 ['76550-74-8', '104700-12-1', '2219-52-5', '15054-86-1', '2219-51-4', '59609-67-5', '107-21-1'] C2H6O2 62.036779432 RDKit 2D;; 4 3 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0;M END TP_Nal_301 C26H39NO9 509.262481828 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; 0.7500 -24.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -23.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -22.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 31 35 1 0; 35 36 1 0; 35 17 1 0; 31 20 1 0; 34 22 1 0; 30 24 1 0; 36 29 1 0;M END TP_Nal_302 C29H43NO11 581.2836111959999 RDKit 2D;; 41 45 0 0 0 0 0 0 0 0999 V2000; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 38 39 1 0; 31 40 1 0; 40 41 1 0; 40 17 1 0; 31 20 1 0; 34 22 1 0; 30 24 1 0; 41 29 1 0;M END TP_Nal_303 C23H29NO8 447.189316888 RDKit 2D;; 32 36 0 0 0 0 0 0 0 0999 V2000; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7990 5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 23 31 1 0; 31 32 1 0; 31 8 1 0; 23 11 1 0; 30 28 1 0; 22 16 1 0; 32 21 1 0;M END TP_Nal_304 C18H21NO6 347.13688739199995 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 14 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 23 25 1 0; 13 4 1 0; 21 4 1 0; 11 5 2 0; 25 6 1 0;M END TP_Nal_305 C23H29NO8 447.1893168879999 RDKit 2D;; 32 35 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 21 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 31 5 1 0; 13 7 1 0; 31 14 1 0; 20 12 1 0;M END TP_Nal_306 C30H44O13 612.2781914679999 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.1760 -5.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -31.5463 -4.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -32.7598 -5.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 14 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 39 41 1 0; 41 42 2 0; 41 43 1 0; 13 4 1 0; 39 4 1 0; 11 5 2 0; 43 6 1 0;M END TP_Nal_307 C22H29NO7 419.19440226800003 RDKit 2D;; 30 34 0 0 0 0 0 0 0 0999 V2000; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 25 29 1 0; 29 30 1 0; 29 11 1 0; 25 14 1 0; 28 16 1 0; 24 18 1 0; 30 23 1 0;M END TP_Nal_308 ['1177792-62-9'] C14H28O8 324.17841785599995 RDKit 2D;; 22 21 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 22.0836 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 23.3827 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.6817 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 25.9808 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0;M END TP_Nal_309 ['75502-10-2', '111389-68-5', '666-14-8', '79-14-1', '26124-68-5'] C2H4O3 76.01604398799999 RDKit 2D;; 5 4 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0;M END TP_Nal_310 C31H47NO12 625.3098259439998 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4149 -4.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.2868 -4.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.1012 -4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2159 -5.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5218 -2.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 17 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 39 41 1 0; 41 42 1 0; 42 43 2 0; 42 44 1 0; 16 7 1 0; 39 7 1 0; 14 8 2 0; 44 9 1 0;M END TP_Nal_311 C16H19NO5 305.126322708 RDKit 2D;; 22 25 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 13 4 1 0; 18 4 1 0; 11 5 2 0; 22 6 1 0;M END TP_Nal_312 C33H53NO13 671.3516907559999 RDKit 2D;; 47 51 0 0 0 0 0 0 0 0999 V2000; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 33 35 1 0; 35 36 1 0; 35 37 2 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 38 46 1 0; 46 47 1 0; 46 23 1 0; 38 26 1 0; 45 43 1 0; 41 28 1 0; 37 30 1 0;M END TP_Nal_313 C27H37NO10 535.241746384 RDKit 2D;; 38 42 0 0 0 0 0 0 0 0999 V2000; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7990 5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 29 37 1 0; 37 38 1 0; 37 14 1 0; 29 17 1 0; 36 34 1 0; 28 22 1 0; 38 27 1 0;M END TP_Nal_314 C18H23NO6 349.15253745600006 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 20 24 1 0; 24 25 1 0; 24 5 1 0; 20 8 1 0; 23 10 1 0; 19 12 1 0;M END TP_Nal_315 C21H27NO7 405.1787522039999 RDKit 2D;; 29 32 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 22 28 1 0; 28 29 1 0; 17 4 1 0; 18 7 1 0; 28 7 1 0; 14 8 1 0;M END TP_Nal_316 C33H49NO12 651.3254760079999 RDKit 2D;; 46 49 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 10 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 35 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 2 0; 40 41 1 0; 41 42 2 0; 42 43 1 0; 42 44 1 0; 44 45 1 0; 44 46 2 0; 37 4 1 0; 46 39 1 0; 35 7 1 0; 46 7 1 0;M END TP_Nal_317 ['16024-58-1'] C7H14O5 178.084123548 RDKit 2D;; 12 11 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0;M END TP_Nal_318 C19H25NO6 363.16818751999995 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 5 1 0; 14 7 1 0; 25 15 1 0;M END TP_Nal_319 C31H51NO13 645.336040692 RDKit 2D;; 45 47 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3038 1.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 35 37 1 0; 37 38 1 0; 37 39 2 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 2 0; 40 44 1 0; 44 45 1 0; 44 24 1 0; 40 27 1 0; 39 32 1 0;M END TP_Nal_320 ['1059189-66-0'] C15H30O8 338.19406791999995 RDKit 2D;; 23 22 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 22.0836 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.3827 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.6817 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.9808 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 27.2798 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 28.5788 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 2 0;M END TP_Nal_321 C31H47NO12 625.3098259439998 RDKit 2D;; 44 48 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.0490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 11 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 21 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 43 2 1 0; 10 4 1 0; 43 11 1 0; 20 9 1 0; 18 16 1 0;M END TP_Nal_322 C33H49NO13 667.3203906279999 RDKit 2D;; 47 51 0 0 0 0 0 0 0 0999 V2000; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7990 5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 28 29 2 0; 28 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 38 46 1 0; 46 47 1 0; 46 23 1 0; 38 26 1 0; 45 43 1 0; 37 31 1 0; 47 36 1 0;M END TP_Nal_323 C27H39NO9 521.2624818279999 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 17 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 35 1 0; 35 36 2 0; 35 37 1 0; 16 7 1 0; 33 7 1 0; 14 8 2 0; 37 9 1 0;M END TP_Nal_324 C27H39NO10 537.2573964479998 RDKit 2D;; 38 41 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 2 0; 34 36 1 0; 22 37 1 0; 37 38 1 0; 17 4 1 0; 18 7 1 0; 37 7 1 0; 14 8 1 0;M END TP_Nal_325 C27H39NO10 537.2573964479999 RDKit 2D;; 38 42 0 0 0 0 0 0 0 0999 V2000; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 26 28 2 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 29 37 1 0; 37 38 1 0; 37 14 1 0; 29 17 1 0; 36 34 1 0; 32 19 1 0; 28 21 1 0;M END TP_Nal_326 C19H23NO6 361.152537456 RDKit 2D;; 26 30 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 2 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 17 25 1 0; 25 26 1 0; 25 2 1 0; 17 5 1 0; 24 22 1 0; 20 7 1 0; 16 9 1 0;M END TP_Nal_327 C27H39NO10 537.2573964479999 RDKit 2D;; 38 42 0 0 0 0 0 0 0 0999 V2000; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 35 1 0; 35 36 1 0; 28 37 1 0; 37 38 1 0; 37 14 1 0; 28 17 1 0; 31 19 1 0; 27 21 1 0; 38 26 1 0;M END TP_Nal_328 C29H43NO10 565.2886965759999 RDKit 2D;; 40 45 0 0 0 0 0 0 0 0999 V2000; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 31 39 1 0; 39 40 1 0; 39 17 1 0; 31 20 1 0; 38 36 1 0; 34 22 1 0; 30 24 1 0; 40 29 1 0;M END TP_Nal_329 C30H45NO11 595.29926126 RDKit 2D;; 42 46 0 0 0 0 0 0 0 0999 V2000; 0.7500 -32.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -31.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -29.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -28.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -27.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -25.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -24.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -23.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -22.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 33 35 1 0; 35 36 2 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 37 41 1 0; 41 42 1 0; 41 23 1 0; 37 26 1 0; 40 28 1 0; 36 30 1 0; 42 35 1 0;M END TP_Nal_330 C21H25NO7 403.1631021399999 RDKit 2D;; 29 32 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.4485 -0.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 17 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 2 0; 27 29 1 0; 16 7 1 0; 25 7 1 0; 14 8 2 0; 29 9 1 0;M END TP_Nal_331 ['5689-75-8'] C3H7NO 73.052763844 RDKit 2D;; 5 5 0 0 0 0 0 0 0 0999 V2000; 3.1160 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4330 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4330 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 3 1 0;M END TP_Nal_332 C25H35NO9 493.2311817 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 2 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 26 34 1 0; 34 35 1 0; 34 11 1 0; 26 14 1 0; 33 31 1 0; 29 16 1 0; 25 18 1 0;M END TP_Nal_333 C31H49NO11 611.330561388 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 22 42 1 0; 42 43 1 0; 17 4 1 0; 18 7 1 0; 42 7 1 0; 14 8 1 0;M END TP_Nal_334 C33H53NO14 687.346605376 RDKit 2D;; 48 50 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7054 1.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 24 47 1 0; 47 48 1 0; 19 4 1 0; 20 7 1 0; 47 7 1 0;M END TP_Nal_335 C33H51NO13 669.3360406919999 RDKit 2D;; 47 49 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 2 0; 23 46 1 0; 46 47 1 0; 19 7 1 0; 46 7 1 0; 14 8 2 0;M END TP_Nal_336 C25H33NO9 491.21553163599987 RDKit 2D;; 35 38 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 29 31 1 0; 20 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 34 5 1 0; 13 7 1 0; 34 14 1 0; 19 12 1 0;M END TP_Nal_337 C34H55NO14 701.3622554399999 RDKit 2D;; 49 52 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7990 5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3038 1.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 35 37 1 0; 37 38 1 0; 37 39 2 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 40 48 1 0; 48 49 1 0; 48 24 1 0; 40 27 1 0; 47 45 1 0; 39 32 1 0;M END TP_Nal_338 ['16024-60-5'] C9H18O6 222.110338296 RDKit 2D;; 15 14 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0;M END TP_Nal_339 ['13382-47-3', '916430-91-6'] C4H8O4 120.042258736 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0;M END TP_Nal_340 C34H55NO13 685.3673408199999 RDKit 2D;; 48 50 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.0000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 21 45 1 0; 45 46 1 0; 46 47 1 0; 47 48 1 0; 47 5 1 0; 14 7 1 0; 47 15 1 0;M END TP_Nal_341 C27H39NO10 537.2573964479999 RDKit 2D;; 38 42 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.1406 -5.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6041 -7.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7188 -8.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2922 -8.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 14 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 32 38 1 0; 13 4 1 0; 37 35 1 0; 30 4 1 0; 11 5 2 0; 38 6 1 0;M END TP_Nal_342 C19H21NO5 343.141972772 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 5 1 0; 13 7 1 0; 24 14 1 0; 19 12 1 0;M END TP_Nal_343 C16H14O6 302.079038168 RDKit 2D;; 22 25 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 13 4 1 0; 18 4 1 0; 11 5 2 0; 22 6 1 0;M END TP_Nal_344 C22H33NO8 439.220617016 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 12.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 2 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 26 30 1 0; 30 31 1 0; 30 11 1 0; 26 14 1 0; 29 16 1 0; 25 18 1 0;M END TP_Nal_345 C30H47NO11 597.3149113239999 RDKit 2D;; 42 46 0 0 0 0 0 0 0 0999 V2000; 0.7500 -32.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -31.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -29.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -28.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -27.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -25.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -24.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -23.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -22.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 33 35 1 0; 35 36 2 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 37 41 1 0; 41 42 1 0; 41 23 1 0; 37 26 1 0; 40 28 1 0; 36 30 1 0; 42 35 1 0;M END TP_Nal_346 C19H21NO6 359.13688739199995 RDKit 2D;; 26 31 0 0 0 0 0 0 0 0999 V2000; 3.2286 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4228 1.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.8564 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1555 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1555 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4545 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4545 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1555 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1555 -5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.8564 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8564 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8646 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8646 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 1.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8564 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3564 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.6064 5.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.0420 -3.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 16 24 1 0; 24 25 1 0; 24 26 1 0; 25 2 1 0; 16 5 1 0; 23 21 1 0; 19 7 1 0; 15 9 1 0; 26 14 1 0;M END TP_Nal_347 C25H35NO9 493.23118169999987 RDKit 2D;; 35 38 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 21 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 34 5 1 0; 13 7 1 0; 34 14 1 0; 20 12 1 0;M END TP_Nal_348 C29H41NO10 563.2730465119998 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 10 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 29 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 2 0; 36 37 1 0; 36 38 1 0; 38 39 1 0; 38 40 2 0; 31 4 1 0; 40 33 1 0; 29 7 1 0; 40 7 1 0;M END TP_Nal_349 C29H43NO10 565.2886965759998 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 20 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 39 5 1 0; 13 7 1 0; 39 14 1 0; 19 12 1 0;M END TP_Nal_350 C21H25NO5 371.1732729 RDKit 2D;; 27 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 17 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 26 4 1 0; 16 7 1 0; 24 7 1 0; 14 8 1 0; 27 9 1 0;M END TP_Nal_351 C27H39NO10 537.2573964479998 RDKit 2D;; 38 40 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 2 0; 23 37 1 0; 37 38 1 0; 19 7 1 0; 37 7 1 0; 14 8 2 0;M END TP_Nal_352 C21H25NO7 403.1631021399999 RDKit 2D;; 29 32 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 21 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 28 5 1 0; 13 7 1 0; 28 14 1 0; 20 12 1 0;M END TP_Nal_353 C20H24O8 392.14711772799996 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 14 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 26 28 1 0; 13 4 1 0; 24 4 1 0; 11 5 2 0; 28 6 1 0;M END TP_Nal_354 C25H33NO9 491.21553163599987 RDKit 2D;; 35 38 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.2000 -1.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 17 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 31 33 1 0; 33 34 2 0; 33 35 1 0; 16 7 1 0; 31 7 1 0; 14 8 2 0; 35 9 1 0;M END TP_Nal_355 C19H21NO6 359.136887392 RDKit 2D;; 26 30 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7990 5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 17 25 1 0; 25 26 1 0; 25 2 1 0; 17 5 1 0; 24 22 1 0; 16 10 1 0; 26 15 1 0;M END TP_Nal_356 C34H53NO14 699.346605376 RDKit 2D;; 49 51 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7054 1.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.0000 15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 24 48 1 0; 48 49 2 0; 19 4 1 0; 20 7 1 0; 48 7 1 0;M END TP_Nal_357 C34H55NO14 701.3622554399999 RDKit 2D;; 49 52 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 35 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 44 46 1 0; 46 47 1 0; 39 48 1 0; 48 49 1 0; 48 24 1 0; 39 27 1 0; 38 32 1 0; 49 37 1 0;M END TP_Nal_358 C31H45NO12 623.2941758799999 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 2 0; 21 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 43 5 1 0; 13 7 1 0; 43 14 1 0; 20 12 1 0;M END TP_Nal_359 C19H21NO5 343.141972772 RDKit 2D;; 25 29 0 0 0 0 0 0 0 0999 V2000; -6.1934 5.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.7971 4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5736 3.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1773 2.7813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -2.0045 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.6082 3.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1540 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6257 0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1105 -1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1236 -2.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.6519 -2.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3350 -3.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.1671 -0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2122 -0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0195 1.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.3265 1.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 -2.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7902 0.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4586 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9644 0.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.9537 1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.6938 1.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 24 4 1 0; 16 7 1 0; 22 7 1 0; 14 8 1 0; 25 9 1 0;M END TP_Nal_360 C13H26O7 294.167853172 RDKit 2D;; 20 19 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 22.0836 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.3827 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.6817 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0;M END TP_Nal_361 C28H41NO10 551.273046512 RDKit 2D;; 39 43 0 0 0 0 0 0 0 0999 V2000; 1.5000 -28.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -27.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -25.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -24.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -23.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -22.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 34 38 1 0; 38 39 1 0; 38 20 1 0; 34 23 1 0; 37 25 1 0; 33 27 1 0; 39 32 1 0;M END TP_Nal_362 C23H31NO8 449.204966952 RDKit 2D;; 32 36 0 0 0 0 0 0 0 0999 V2000; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 22 31 1 0; 31 32 1 0; 31 8 1 0; 22 11 1 0; 25 13 1 0; 21 15 1 0; 32 20 1 0;M END TP_Nal_363 C22H28O9 436.1733324759999 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 14 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 13 4 1 0; 27 4 1 0; 11 5 2 0; 31 6 1 0;M END TP_Nal_364 C20H27NO7 393.17875220400003 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 23 27 1 0; 27 28 1 0; 27 8 1 0; 23 11 1 0; 26 13 1 0; 22 15 1 0;M END TP_Nal_365 C30H47NO12 613.3098259439998 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 25.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 33 35 1 0; 35 36 1 0; 35 37 2 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 38 42 1 0; 42 43 1 0; 42 23 1 0; 38 26 1 0; 41 28 1 0; 37 30 1 0;M END TP_Nal_366 C29H45NO10 567.3043466399998 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 22 39 1 0; 39 40 1 0; 17 4 1 0; 18 7 1 0; 39 7 1 0; 14 8 1 0;M END TP_Nal_367 C27H37NO10 535.2417463839998 RDKit 2D;; 38 41 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 2 0; 32 34 1 0; 20 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 37 5 1 0; 13 7 1 0; 37 14 1 0; 19 12 1 0;M END TP_Nal_368 C26H36O11 524.2257619719999 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 14 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 35 1 0; 35 36 2 0; 35 37 1 0; 13 4 1 0; 33 4 1 0; 11 5 2 0; 37 6 1 0;M END TP_Nal_369 C29H41NO10 563.2730465119998 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 2 0; 17 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 38 39 2 0; 38 40 1 0; 16 7 1 0; 36 7 1 0; 14 8 2 0; 40 9 1 0;M END TP_Nal_370 C27H39NO9 521.2624818279999 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 10 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 33 35 1 0; 35 36 1 0; 35 37 2 0; 28 4 1 0; 37 30 1 0; 26 7 1 0; 37 7 1 0;M END TP_Nal_371 ['33984-05-3', '107-02-8', '25068-14-8', '81788-96-7'] C3H4O 56.026214748 RDKit 2D;; 4 3 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0;M END TP_Nal_372 C16H19NO5 305.12632270800003 RDKit 2D;; 22 26 0 0 0 0 0 0 0 0999 V2000; -0.5661 5.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 6 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 7 2 1 0; 22 10 1 0; 18 4 1 0; 22 5 1 0; 22 15 1 0;M END TP_Nal_373 C33H51NO12 653.3411260719998 RDKit 2D;; 46 49 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 10 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 35 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 2 0; 40 41 1 0; 41 42 2 0; 42 43 1 0; 42 44 1 0; 44 45 1 0; 44 46 2 0; 37 4 1 0; 46 39 1 0; 35 7 1 0; 46 7 1 0;M END TP_Nal_374 C23H33NO8 451.220617016 RDKit 2D;; 32 36 0 0 0 0 0 0 0 0999 V2000; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 22 31 1 0; 31 32 1 0; 31 8 1 0; 22 11 1 0; 25 13 1 0; 21 15 1 0; 32 20 1 0;M END TP_Nal_375 C18H20O7 348.12090298 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 14 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 23 25 1 0; 13 4 1 0; 21 4 1 0; 11 5 2 0; 25 6 1 0;M END TP_Nal_376 C21H25NO6 387.16818752 RDKit 2D;; 28 33 0 0 0 0 0 0 0 0999 V2000; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 19 27 1 0; 27 28 1 0; 27 5 1 0; 19 8 1 0; 26 24 1 0; 22 10 1 0; 18 12 1 0; 28 17 1 0;M END TP_Nal_377 C19H23NO6 361.15253745599995 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4970 3.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.9888 3.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5989 2.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0907 2.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7172 0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8740 -0.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.5037 -1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1918 -2.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8118 2.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.1595 1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4200 3.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8296 3.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.1778 3.1448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.0900 5.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 9 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 24 26 1 0; 19 4 1 0; 16 7 1 0; 20 7 1 0; 14 8 1 0;M END TP_Nal_378 C23H29NO8 447.1893168879999 RDKit 2D;; 32 35 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 20 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 31 5 1 0; 13 7 1 0; 31 14 1 0; 19 12 1 0;M END TP_Nal_379 C21H27NO7 405.1787522039999 RDKit 2D;; 29 32 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 21 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 28 5 1 0; 13 7 1 0; 28 14 1 0; 20 12 1 0;M END TP_Nal_380 C18H25NO6 351.16818752000006 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 20 24 1 0; 24 25 1 0; 24 5 1 0; 20 8 1 0; 23 10 1 0; 19 12 1 0;M END TP_Nal_381 C25H33NO8 475.2206170159999 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 17 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 32 1 0; 32 33 2 0; 32 34 1 0; 16 7 1 0; 30 7 1 0; 14 8 2 0; 34 9 1 0;M END TP_Nal_382 C31H47NO12 625.3098259439998 RDKit 2D;; 44 46 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 2 0; 23 43 1 0; 43 44 1 0; 19 7 1 0; 43 7 1 0; 14 8 2 0;M END TP_Nal_383 C19H23NO6 361.15253745599995 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; -7.0557 -5.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4456 -4.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9538 -4.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3437 -2.9829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -2.8519 -2.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2418 -1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5838 -3.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7406 -4.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5271 -5.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6839 -7.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.1568 -5.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0567 -5.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -3.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1277 0.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.5875 -2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 11 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 2 0; 24 26 1 0; 17 7 1 0; 22 7 1 0; 15 8 2 0; 26 9 1 0;M END TP_Nal_384 C29H43NO11 581.2836111959998 RDKit 2D;; 41 45 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.0490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 11 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 21 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 40 2 1 0; 10 4 1 0; 40 11 1 0; 20 9 1 0; 18 16 1 0;M END TP_Nal_385 ['120394-66-3'] C14H28O9 340.173332476 RDKit 2D;; 23 22 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.3923 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.9904 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.5885 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.1865 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -20.7846 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.0836 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.3827 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.6817 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0;M END TP_Nal_386 ['4437-01-8'] C15H32O8 340.20971798399995 RDKit 2D;; 23 22 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 22.0836 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.3827 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.6817 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.9808 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 27.2798 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 28.5788 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0;M END TP_Nal_387 C31H49NO12 627.3254760079999 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 26.2500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 1 0; 36 38 2 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 39 43 1 0; 43 44 2 0; 43 24 1 0; 39 27 1 0; 42 29 1 0; 38 31 1 0;M END TP_Nal_388 C34H53NO12 667.3567761359999 RDKit 2D;; 47 49 0 0 0 0 0 0 0 0999 V2000; 3.3852 -7.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8112 -6.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3240 -6.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -4.9204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8107 -3.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8107 -2.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3943 -3.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5239 -3.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.8496 -3.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.9573 -5.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2755 -5.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5545 -5.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8727 -5.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.1516 -5.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.4699 -5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.7488 -5.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -13.0671 -5.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.3460 -5.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.6642 -5.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.9432 -6.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.2614 -5.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.5404 -6.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -20.8586 -5.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -22.1376 -6.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.4558 -5.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -24.7348 -6.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -26.0530 -5.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.3319 -6.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -28.6502 -5.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -29.9291 -6.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -31.2474 -5.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -32.5263 -6.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4196 -3.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3020 -3.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8941 -4.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5791 -5.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.8107 -3.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8107 -2.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 10 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 2 0; 41 42 1 0; 42 43 2 0; 43 44 1 0; 43 45 1 0; 45 46 1 0; 45 47 2 0; 38 4 1 0; 47 40 1 0; 47 7 1 0;M END TP_Nal_389 C21H25NO6 387.16818751999995 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 10 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 26 28 2 0; 19 4 1 0; 28 21 1 0; 17 7 1 0; 28 7 1 0;M END TP_Nal_390 C16H19NO5 305.12632270800003 RDKit 2D;; 22 25 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 2 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 17 21 1 0; 21 22 1 0; 21 2 1 0; 17 5 1 0; 20 7 1 0; 16 9 1 0;M END TP_Nal_391 C31H45NO11 607.2992612599999 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 2 0; 17 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 39 41 1 0; 41 42 2 0; 41 43 1 0; 16 7 1 0; 39 7 1 0; 14 8 2 0; 43 9 1 0;M END TP_Nal_392 ['2194602-17-8'] C29H41NO10 563.2730465119998 RDKit 2D;; 40 44 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 2 0; 32 34 1 0; 17 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 37 39 1 0; 39 40 1 0; 39 4 1 0; 16 7 1 0; 37 7 1 0; 14 8 1 0; 40 9 1 0;M END TP_Nal_393 C29H45NO11 583.2992612599999 RDKit 2D;; 41 43 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 21 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 40 5 1 0; 14 7 1 0; 40 15 1 0;M END TP_Nal_394 ['1059189-65-9'] C11H22O6 250.141638424 RDKit 2D;; 17 16 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0;M END TP_Nal_395 C23H33NO8 451.2206170159999 RDKit 2D;; 32 34 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 23 31 1 0; 31 32 1 0; 19 7 1 0; 31 7 1 0; 14 8 2 0;M END TP_Nal_396 ['1261079-38-2', '65700-73-4', '465-65-6'] C19H21NO4 327.147058152 RDKit 2D;; 24 28 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 4 1 0; 16 7 1 0; 21 7 1 0; 14 8 1 0; 24 9 1 0;M END TP_Nal_397 C21H29NO7 407.19440226800003 RDKit 2D;; 29 33 0 0 0 0 0 0 0 0999 V2000; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 20 28 1 0; 28 29 1 0; 28 5 1 0; 20 8 1 0; 27 25 1 0; 23 10 1 0; 19 12 1 0;M END TP_Nal_398 C27H41NO10 539.2730465119998 RDKit 2D;; 38 40 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 21 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 37 5 1 0; 14 7 1 0; 37 15 1 0;M END TP_Nal_399 C21H27NO6 389.18383758399995 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 10 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 26 28 2 0; 19 4 1 0; 28 21 1 0; 17 7 1 0; 28 7 1 0;M END TP_Nal_400 C10H20O6 236.12598836 RDKit 2D;; 16 15 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0;M END TP_Nal_401 C23H31NO8 449.204966952 RDKit 2D;; 32 36 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.1406 -5.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6041 -7.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7188 -8.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2922 -8.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 14 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 26 32 1 0; 13 4 1 0; 31 29 1 0; 24 4 1 0; 11 5 2 0; 32 6 1 0;M END TP_Nal_402 C19H23NO6 361.15253745599995 RDKit 2D;; 26 30 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.0490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 11 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 2 1 0; 10 4 1 0; 25 11 1 0; 20 9 1 0; 18 16 1 0;M END TP_Nal_403 C31H45NO11 607.29926126 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 2 0; 10 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 32 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 39 41 1 0; 41 42 1 0; 41 43 2 0; 34 4 1 0; 43 36 1 0; 32 7 1 0; 43 7 1 0;M END TP_Nal_404 C19H25NO6 363.16818751999995 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 13 15 2 0; 15 16 1 0; 9 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 18 4 1 0; 19 7 1 0; 25 7 1 0; 15 8 1 0;M END TP_Nal_405 C20H27NO7 393.1787522039999 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 14 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 26 28 1 0; 13 4 1 0; 24 4 1 0; 11 5 2 0; 28 6 1 0;M END TP_Nal_406 C19H23NO6 361.15253745599995 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 14 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 5 1 0; 13 7 1 0; 25 14 1 0; 20 12 1 0;M END TP_Nal_407 C18H21NO6 347.136887392 RDKit 2D;; 25 29 0 0 0 0 0 0 0 0999 V2000; 3.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 20 24 1 0; 24 25 1 0; 24 6 1 0; 20 9 1 0; 23 11 1 0; 19 13 1 0; 25 18 1 0;M END TP_Nal_408 C31H51NO12 629.3411260719998 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 26.2500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 1 0; 36 38 2 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 39 43 1 0; 43 44 1 0; 43 24 1 0; 39 27 1 0; 42 29 1 0; 38 31 1 0;M END TP_Nal_409 C19H25NO6 363.16818752 RDKit 2D;; 26 30 0 0 0 0 0 0 0 0999 V2000; 6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 2 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 25 6 1 0; 18 9 1 0; 23 9 1 0; 16 10 1 0; 26 11 1 0;M END TP_Nal_410 C25H35NO9 493.23118169999987 RDKit 2D;; 35 38 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 31 33 1 0; 22 34 1 0; 34 35 1 0; 17 4 1 0; 18 7 1 0; 34 7 1 0; 14 8 1 0;M END TP_Nal_411 C25H33NO9 491.215531636 RDKit 2D;; 35 40 0 0 0 0 0 0 0 0999 V2000; 12.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 22 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 26 34 1 0; 34 35 1 0; 34 12 1 0; 26 15 1 0; 33 31 1 0; 29 17 1 0; 25 19 1 0; 35 24 1 0;M END TP_Nal_412 C25H33NO8 475.220617016 RDKit 2D;; 34 39 0 0 0 0 0 0 0 0999 V2000; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 25 33 1 0; 33 34 1 0; 33 11 1 0; 25 14 1 0; 32 30 1 0; 28 16 1 0; 24 18 1 0; 34 23 1 0;M END TP_Nal_413 C34H53NO13 683.3516907559999 RDKit 2D;; 48 52 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 43 45 1 0; 45 46 2 0; 38 47 1 0; 47 48 1 0; 47 24 1 0; 38 27 1 0; 41 29 1 0; 37 31 1 0; 48 36 1 0;M END TP_Nal_414 C21H25NO6 387.16818751999995 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 17 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 26 28 1 0; 16 7 1 0; 24 7 1 0; 14 8 2 0; 28 9 1 0;M END TP_Nal_415 C19H21NO6 359.136887392 RDKit 2D;; 26 31 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 11 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 17 25 1 0; 25 26 1 0; 25 2 1 0; 17 5 1 0; 24 22 1 0; 20 7 1 0; 16 9 1 0; 26 15 1 0;M END TP_Nal_416 C24H35NO9 481.2311817 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 15.0000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 26 28 2 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 29 33 1 0; 33 34 1 0; 33 14 1 0; 29 17 1 0; 32 19 1 0; 28 21 1 0;M END TP_Nal_417 C19H21NO5 343.141972772 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 23 25 1 0; 16 7 1 0; 21 7 1 0; 14 8 2 0; 25 9 1 0;M END TP_Nal_418 C29H41NO11 579.267961132 RDKit 2D;; 41 45 0 0 0 0 0 0 0 0999 V2000; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7990 5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 2 0; 22 24 1 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 28 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 32 40 1 0; 40 41 1 0; 40 17 1 0; 32 20 1 0; 39 37 1 0; 31 25 1 0; 41 30 1 0;M END TP_Nal_419 C34H53NO12 667.3567761359999 RDKit 2D;; 47 50 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -30.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 10 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 2 0; 41 42 1 0; 42 43 2 0; 43 44 1 0; 43 45 1 0; 45 46 1 0; 45 47 2 0; 38 4 1 0; 47 40 1 0; 36 7 1 0; 47 7 1 0;M END TP_Nal_420 C21H27NO6 389.18383758399995 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 22 27 1 0; 27 28 1 0; 17 4 1 0; 18 7 1 0; 27 7 1 0; 14 8 1 0;M END TP_Nal_421 C34H55NO14 701.36225544 RDKit 2D;; 49 52 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 32 34 1 0; 34 35 1 0; 29 36 1 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 2 0; 40 41 1 0; 40 42 1 0; 42 43 2 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 2 0; 44 48 1 0; 48 49 1 0; 48 24 1 0; 44 27 1 0; 43 37 1 0; 49 42 1 0;M END TP_Nal_422 C31H47NO12 625.309825944 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 2 0; 40 42 1 0; 22 43 1 0; 43 44 1 0; 17 4 1 0; 18 7 1 0; 43 7 1 0; 14 8 1 0;M END TP_Nal_423 C33H51NO13 669.3360406919999 RDKit 2D;; 47 51 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.0490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -23.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -24.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.5000 -15.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.5000 -18.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 11 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 1 0; 41 42 1 0; 42 43 1 0; 21 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 46 2 1 0; 10 4 1 0; 46 11 1 0; 20 9 1 0; 18 16 1 0;M END TP_Nal_424 ['102867-56-1', '18995-18-1', '111-46-6', '105400-04-2', '149626-00-6', '31290-76-3', '162662-01-3'] C4H10O3 106.06299418 RDKit 2D;; 7 6 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0;M END TP_Nal_425 C20H29NO7 395.19440226800003 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 23 27 1 0; 27 28 1 0; 27 8 1 0; 23 11 1 0; 26 13 1 0; 22 15 1 0;M END TP_Nal_426 ['132997-94-5'] C7H14O4 162.089208928 RDKit 2D;; 11 10 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0;M END TP_Nal_427 C23H31NO8 449.2049669519999 RDKit 2D;; 32 35 0 0 0 0 0 0 0 0999 V2000; 5.8702 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7555 -1.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3289 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4149 -4.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.2868 -4.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.1012 -4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2159 -5.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5218 -2.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 17 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 2 0; 30 32 1 0; 16 7 1 0; 27 7 1 0; 14 8 2 0; 32 9 1 0;M END TP_Nal_428 C16H17NO5 303.110672644 RDKit 2D;; 22 25 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 11 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 2 1 0; 10 4 1 0; 21 11 1 0; 16 9 1 0;M END TP_Nal_429 C27H41NO11 555.2679611319999 RDKit 2D;; 39 41 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7054 1.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5303 2.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 10 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 24 38 1 0; 38 39 1 0; 19 4 1 0; 20 7 1 0; 38 7 1 0;M END TP_Nal_430 C25H35NO9 493.23118169999987 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5538 -2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 9 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 2 0; 23 34 1 0; 34 35 1 0; 19 7 1 0; 34 7 1 0; 14 8 2 0;M END TP_Nal_431 C25H35NO8 477.23626708 RDKit 2D;; 34 39 0 0 0 0 0 0 0 0999 V2000; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9068 2.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 25 33 1 0; 33 34 1 0; 33 11 1 0; 25 14 1 0; 32 30 1 0; 28 16 1 0; 24 18 1 0; 34 23 1 0;M END TP_Nal_432 C26H39NO10 525.2573964479999 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 18.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5235 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 31 2 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 32 36 1 0; 36 37 1 0; 36 17 1 0; 32 20 1 0; 35 22 1 0; 31 24 1 0;M END TP_Nal_433 C19H21NO6 359.136887392 RDKit 2D;; 26 30 0 0 0 0 0 0 0 0999 V2000; -6.1934 5.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.7971 4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5736 3.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1773 2.7813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -2.0045 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.6082 3.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1540 0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6257 0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1105 -1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1236 -2.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6084 -3.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.6519 -2.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3350 -3.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.1671 -0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2122 -0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0195 1.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.3265 1.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 -2.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7902 0.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4586 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9644 0.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.9537 1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.6938 1.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 13 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 25 4 1 0; 17 7 1 0; 23 7 1 0; 15 8 1 0; 26 9 1 0;M END TP_Nal_434 C24H35NO8 465.23626708 RDKit 2D;; 33 37 0 0 0 0 0 0 0 0999 V2000; 1.5000 -20.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -19.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -18.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -16.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 28 32 1 0; 32 33 1 0; 32 14 1 0; 28 17 1 0; 31 19 1 0; 27 21 1 0; 33 26 1 0;M END TP_Nal_435 ['97840-77-2', '108152-85-8', '138667-25-1', '286425-36-3', '109-86-4'] C3H8O2 76.052429496 RDKit 2D;; 5 4 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0;M END TP_Nal_436 C20H25NO7 391.16310214000003 RDKit 2D;; 28 32 0 0 0 0 0 0 0 0999 V2000; -0.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1084 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5969 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.8104 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1807 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3375 0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7079 -0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 0.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 23 27 1 0; 27 28 1 0; 27 9 1 0; 23 12 1 0; 26 14 1 0; 22 16 1 0; 28 21 1 0;M END TP_Nal_437 C29H41NO9 547.2781318919998 RDKit 2D;; 39 43 0 0 0 0 0 0 0 0999 V2000; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4000 -0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3338 -2.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4906 -3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7229 -4.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0932 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3067 -4.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -1.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -18.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -19.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2389 -0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 12 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 2 0; 17 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 38 39 1 0; 38 4 1 0; 16 7 1 0; 36 7 1 0; 14 8 1 0; 39 9 1 0;M END TP_Nal_438 C28H41NO11 567.2679611319999 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 2.2142 -2.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7876 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3271 -2.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3375 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7079 -2.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.9214 -2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2917 -2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5052 -3.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8755 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0891 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4594 -2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6729 -3.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0432 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -17.2568 -4.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -18.6271 -3.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -19.8406 -4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -21.2109 -3.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -22.4244 -4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -23.7948 -3.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -25.0083 -4.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -26.3786 -4.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -27.5921 -5.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -28.9625 -4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1807 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8104 -4.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5969 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2266 -4.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2098 -3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6734 -5.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 2 0; 14 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 38 39 2 0; 38 40 1 0; 13 4 1 0; 36 4 1 0; 11 5 2 0; 40 6 1 0;M END TP_Nal_439 C25H35NO8 477.2362670799999 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1568 -1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 20 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 5 1 0; 13 7 1 0; 33 14 1 0; 19 12 1 0;M END TP_Nal_440 C34H55NO15 717.3571700599999 RDKit 2D;; 50 53 0 0 0 0 0 0 0 0999 V2000; 27.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 26.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 25.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 23.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 21.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 21.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 19.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 18.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 17.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9134 -1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5846 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8000 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7096 0.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 34 36 1 0; 36 37 2 0; 36 38 1 0; 31 39 1 0; 39 40 2 0; 39 41 1 0; 41 42 1 0; 42 43 1 0; 43 44 1 0; 44 45 1 0; 45 46 1 0; 46 47 1 0; 47 48 1 0; 41 49 1 0; 49 50 1 0; 49 24 1 0; 41 27 1 0; 48 46 1 0; 44 29 1 0;M END TP_Nal_441 ['5617-32-3', '124346-03-8'] C14H30O8 326.19406791999995 RDKit 2D;; 22 21 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.8875 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 18.1865 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 19.4856 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 20.7846 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 22.0836 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 23.3827 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 24.6817 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 25.9808 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0;M END Dap ['1373321-04-0', '1408245-02-2', '1373321-04-0', '2133407-75-5', '1204219-80-6', '1373321-04-0', '2133407-75-5', '461432-26-8'] C21H25ClO6 408.1339662 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_1 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_2 ['723342-55-0', '23653-97-6', '1632-97-9', '2188-31-0', '1632-98-0', '19901-15-6', '4122-13-8', '1632-89-9', '75-07-0'] C2H4O 44.026214748 RDKit 2D;; 3 2 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0;M END TP_Dap_3 C21H21ClO7 420.097580692 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 8.0116 12.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.0764 10.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.5931 11.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.6579 10.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2059 8.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.2707 7.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7874 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8522 6.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4002 5.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.4650 3.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 -2.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 -1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0209 2.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.4962 2.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.4315 3.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8835 4.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8187 6.0424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 2.2394 9.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1747 10.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 20 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0; 23 12 1 0;M END TP_Dap_4 C21H21ClO6 404.102666072 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 2 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_5 C19H17ClO6 376.071365944 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 3 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 13 22 2 0; 7 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 25 2 1 0; 22 8 1 0; 21 15 1 0;M END TP_Dap_6 C21H23ClO7 422.11323075599995 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 12 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 16 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 21 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_7 C21H23ClO8 438.108145376 RDKit 2D;; 30 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 2 0; 22 24 1 0; 11 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 7 29 1 0; 29 30 2 0; 30 4 1 0; 27 9 1 0;M END TP_Dap_8 C19H17ClO6 376.071365944 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 11 20 2 0; 5 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 25 3 1 0; 20 6 1 0; 19 13 1 0;M END TP_Dap_9 C21H21ClO6 404.102666072 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 14 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_10 ['139657-62-8', '213825-57-1', '213825-57-1', '139657-60-6', '288846-88-8', '77583-92-7', '288846-87-7', '4933-79-3', '70849-23-9', '5328-37-0', '147-81-9', '20235-19-2', '50-69-1', '34466-20-1', '1949-78-6', '25990-60-7', '41247-05-6', '141492-19-5', '25702-75-4', '609-06-3', '25990-60-7', '24259-59-4', '10323-20-3', '147-81-9', '20235-19-2', '65-42-9', '20235-19-2', '147-81-9', '9000-69-5', '20235-19-2', '31178-70-8', '1949-78-6', '25990-60-7', '53106-52-8'] C5H10O5 150.05282342 RDKit 2D;; 10 9 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 3 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 7 9 1 0; 9 10 1 0;M END TP_Dap_11 C19H19ClO7 394.081930628 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 3 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 9 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 18 27 2 0; 27 13 1 0; 26 20 1 0;M END TP_Dap_12 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_13 C21H21ClO6 404.102666072 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 14 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_14 C21H21ClO7 420.097580692 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 8.0116 12.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.0764 10.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.5931 11.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.6579 10.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2059 8.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.2707 7.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7874 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8522 6.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4002 5.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.4650 3.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 -2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.4650 -3.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.4962 2.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.4315 3.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8835 4.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8187 6.0424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 2.2394 9.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1747 10.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0; 22 12 1 0;M END TP_Dap_15 C19H17ClO6 376.071365944 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 11 20 2 0; 5 21 1 0; 21 22 2 0; 21 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 25 3 1 0; 20 6 1 0; 19 13 1 0;M END TP_Dap_16 ['285977-76-6', '1173022-32-6', '109945-04-2', '55511-07-4', '120416-14-0', '147416-04-4', '149748-09-4', '159037-04-4', '57745-60-5', '17217-83-3', '63459-47-2', '107745-70-0', '79562-15-5', '63459-47-2', '1563-80-0', '16651-47-1', '1563-79-7', '63459-47-2', '1186-52-3', '758-12-3', '78887-71-5', '2845-03-6', '1112-02-3', '64-19-7', '68475-71-8', '63459-47-2', '546-67-8', '4843-45-2', '158461-04-2', '71-50-1'] C2H4O2 60.021129368000004 RDKit 2D;; 4 3 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0;M END TP_Dap_17 C16H15ClO2 274.0760574 RDKit 2D;; 19 20 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 11 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 7 18 1 0; 18 19 2 0; 19 4 1 0; 16 9 1 0;M END TP_Dap_18 C21H21ClO6 404.102666072 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 14 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_19 C21H19ClO6 402.087016008 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 14 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_20 C19H19ClO7 394.081930628 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 18 27 2 0; 27 13 1 0; 26 20 1 0;M END TP_Dap_21 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 2 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_22 ['131771-71-6', '131771-46-5', '131771-70-5', '131771-47-6', '551-84-8', '5962-29-8', '2042-27-5', '488-84-6', '488-84-6', '5556-48-9', '527-50-4', '551-84-8', '488-84-6'] C5H10O5 150.05282342 RDKit 2D;; 10 9 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 7 9 1 0; 9 10 1 0;M END TP_Dap_23 C19H19ClO7 394.081930628 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 2 5 1 0; 5 6 2 0; 5 7 1 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 18 27 2 0; 27 13 1 0; 26 20 1 0;M END TP_Dap_24 C21H23ClO7 422.113230756 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 2 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_25 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_26 C19H19ClO7 394.0819306279999 RDKit 2D;; 27 29 0 0 0 0 0 0 0 0999 V2000; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 12 21 2 0; 6 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 26 4 1 0; 21 7 1 0; 20 14 1 0;M END TP_Dap_27 C21H23ClO7 422.113230756 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 15 17 1 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0; 22 12 1 0;M END TP_Dap_28 C19H21ClO7 396.0975806919999 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 6 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 8 17 2 0; 2 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 17 3 1 0; 16 10 1 0;M END TP_Dap_29 C21H23ClO6 406.118316136 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_30 C21H21ClO7 420.097580692 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 8.0116 12.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.0764 10.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.5931 11.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.6579 10.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2059 8.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.2707 7.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7874 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8522 6.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4002 5.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.4650 3.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 -2.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 -1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0209 2.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.4962 2.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.4315 3.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8835 4.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8187 6.0424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 2.2394 9.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1747 10.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 20 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0; 23 12 1 0;M END TP_Dap_31 C21H21ClO7 420.097580692 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 15 17 1 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0; 22 12 1 0;M END TP_Dap_32 C19H19ClO6 378.0870160079999 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 9 18 2 0; 3 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 25 2 1 0; 18 4 1 0; 17 11 1 0;M END TP_Dap_33 C19H17ClO6 376.071365944 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 1 0; 7 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 22 24 1 0; 24 25 2 0; 17 26 2 0; 11 2 1 0; 26 12 1 0; 25 19 1 0;M END TP_Dap_34 C19H19ClO7 394.08193062799995 RDKit 2D;; 27 29 0 0 0 0 0 0 0 0999 V2000; 3.2286 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 3.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3812 4.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0474 5.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3860 6.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7198 7.5348 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.4856 5.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.9189 5.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0185 4.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4519 4.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5514 3.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.2177 2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.3172 1.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7843 1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.6847 3.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1518 3.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 -1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1482 -0.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 -2.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 2 0; 10 19 2 0; 4 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 21 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 26 2 1 0; 19 5 1 0; 18 12 1 0;M END TP_Dap_35 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_36 C19H17ClO6 376.071365944 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 13 22 2 0; 7 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 24 2 1 0; 22 8 1 0; 21 15 1 0;M END TP_Dap_37 C19H19ClO6 378.087016008 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 3 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 13 22 2 0; 7 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 25 2 1 0; 22 8 1 0; 21 15 1 0;M END TP_Dap_38 C21H23ClO7 422.113230756 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_39 C21H23ClO7 422.113230756 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_40 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_41 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 2 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_42 C19H19ClO7 394.081930628 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 18 27 2 0; 27 13 1 0; 26 20 1 0;M END TP_Dap_43 C21H23ClO6 406.118316136 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 14 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_44 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 2 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_45 C21H25ClO7 424.12888082 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_46 C21H23ClO7 422.11323075599995 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 8.0116 12.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.0764 10.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.5931 11.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.6579 10.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2059 8.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.2707 7.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7874 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8522 6.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4002 5.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.4650 3.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 -2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.4962 -2.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 -1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.4962 2.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.4315 3.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8835 4.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8187 6.0424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 2.2394 9.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1747 10.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0; 22 12 1 0;M END TP_Dap_47 C21H23ClO7 422.113230756 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 2 0; 17 19 1 0; 12 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 2 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_48 C19H19ClO7 394.0819306279999 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 6 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 8 17 2 0; 2 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 17 3 1 0; 16 10 1 0;M END TP_Dap_49 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 2 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_50 C19H19ClO6 378.087016008 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 11 20 2 0; 5 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 25 3 1 0; 20 6 1 0; 19 13 1 0;M END TP_Dap_51 C21H23ClO7 422.113230756 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 2 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_52 C19H21ClO5 364.10775145200006 RDKit 2D;; 25 26 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 11 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 7 24 1 0; 24 25 2 0; 25 4 1 0; 22 9 1 0;M END TP_Dap_53 C21H21ClO7 420.097580692 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 15 17 1 0; 14 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 2 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0; 22 12 1 0;M END TP_Dap_54 C21H19ClO6 402.087016008 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 2 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_55 C21H25ClO7 424.12888082 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_56 C5H8O5 148.037173356 RDKit 2D;; 10 9 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 3 5 1 0; 5 6 2 0; 5 7 1 0; 7 8 1 0; 7 9 1 0; 9 10 1 0;M END TP_Dap_57 C21H19ClO6 402.087016008 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 14 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 2 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_58 C19H17ClO6 376.071365944 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 11 20 2 0; 5 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 25 3 1 0; 20 6 1 0; 19 13 1 0;M END TP_Dap_59 C21H23ClO7 422.11323075599995 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 12 21 1 0; 21 22 2 0; 21 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_60 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_61 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 2 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_62 C19H19ClO7 394.0819306279999 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 6 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 8 17 2 0; 2 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 2 0; 22 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 17 3 1 0; 16 10 1 0;M END TP_Dap_63 C21H23ClO7 422.113230756 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_64 C21H23ClO8 438.108145376 RDKit 2D;; 30 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 2 0; 22 24 1 0; 11 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 7 29 1 0; 29 30 2 0; 30 4 1 0; 27 9 1 0;M END TP_Dap_65 C21H23ClO7 422.113230756 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_66 C19H19ClO7 394.0819306279999 RDKit 2D;; 27 29 0 0 0 0 0 0 0 0999 V2000; 3.2286 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0209 2.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3724 3.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.6118 2.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9632 3.3533 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -5.4997 1.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7390 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.6269 -1.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8663 -1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7542 -3.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4027 -4.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.2906 -5.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.1634 -3.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2755 -1.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1482 0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1518 -3.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 -2.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 4 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 12 21 2 0; 6 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 23 26 1 0; 26 27 1 0; 26 2 1 0; 21 7 1 0; 20 14 1 0;M END TP_Dap_67 C21H21ClO7 420.09758069199995 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 8.0116 12.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.0764 10.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.5931 11.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.6579 10.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2059 8.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.2707 7.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7874 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8522 6.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4002 5.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.4650 3.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 -2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.4962 -2.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 -1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.4962 2.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.4315 3.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8835 4.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8187 6.0424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 2.2394 9.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1747 10.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 2 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0; 22 12 1 0;M END TP_Dap_68 ['4172-44-5', '710941-59-6', '526-91-0', '17828-56-7', '608-53-7', '642-98-8', '17812-24-7', '4172-43-4', '28223-40-7', '526-92-1', '32609-14-6', '488-30-2', '13752-83-5', '22373-09-7'] C5H10O6 166.04773803999998 RDKit 2D;; 11 10 0 0 0 0 0 0 0 0999 V2000; 5.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 4 6 1 0; 6 7 1 0; 6 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0;M END TP_Dap_69 C19H19ClO6 378.087016008 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 5 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 20 22 1 0; 22 23 2 0; 15 24 2 0; 9 25 1 0; 25 26 1 0; 25 2 1 0; 24 10 1 0; 23 17 1 0;M END TP_Dap_70 ['75502-10-2', '111389-68-5', '666-14-8', '79-14-1', '26124-68-5'] C2H4O3 76.01604398799999 RDKit 2D;; 5 4 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0;M END TP_Dap_71 C21H23ClO6 406.118316136 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_72 C21H23ClO7 422.113230756 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_73 C18H19ClO5 350.09210138800006 RDKit 2D;; 24 25 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 11 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 7 23 1 0; 23 24 2 0; 24 4 1 0; 21 9 1 0;M END TP_Dap_74 C19H19ClO7 394.081930628 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 2 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 18 27 2 0; 27 13 1 0; 26 20 1 0;M END TP_Dap_75 C19H19ClO7 394.081930628 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 18 27 2 0; 27 13 1 0; 26 20 1 0;M END TP_Dap_76 C21H23ClO7 422.113230756 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 2 0; 17 19 1 0; 12 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_77 C21H23ClO7 422.113230756 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 8.0116 12.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.0764 10.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.5931 11.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.6579 10.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2059 8.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.2707 7.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7874 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8522 6.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4002 5.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.4650 3.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 -2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.4650 -3.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.4962 2.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.4315 3.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8835 4.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8187 6.0424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 2.2394 9.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1747 10.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0; 22 12 1 0;M END TP_Dap_78 C21H21ClO6 404.102666072 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_79 C19H21ClO7 396.097580692 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 18 27 2 0; 27 13 1 0; 26 20 1 0;M END TP_Dap_80 C21H23ClO6 406.118316136 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_81 ['864070-37-1'] C19H21ClO6 380.102666072 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 11 20 2 0; 5 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 25 3 1 0; 20 6 1 0; 19 13 1 0;M END TP_Dap_82 C19H19ClO7 394.081930628 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 9 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 18 27 2 0; 27 13 1 0; 26 20 1 0;M END TP_Dap_83 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_84 C21H19ClO6 402.087016008 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 14 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_85 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 2 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_86 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_87 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_88 C19H19ClO7 394.08193062799995 RDKit 2D;; 27 29 0 0 0 0 0 0 0 0999 V2000; 3.2286 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 -1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1482 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4997 -1.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.6118 -2.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9632 -3.3533 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -4.3724 -3.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4845 -5.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2451 -5.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3572 -7.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1179 -8.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7664 -7.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4729 -8.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.6543 -6.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8937 -5.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0209 -2.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 -2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.4650 -3.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 4 6 1 0; 6 7 1 0; 6 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 14 23 2 0; 8 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 25 2 1 0; 23 9 1 0; 22 16 1 0;M END TP_Dap_89 C21H23ClO7 422.113230756 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_90 ['96-26-4'] C3H6O3 90.031694052 RDKit 2D;; 6 5 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 2 5 1 0; 5 6 1 0;M END TP_Dap_91 C21H21ClO7 420.097580692 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 15 17 1 0; 14 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0; 22 12 1 0;M END TP_Dap_92 C21H21ClO7 420.097580692 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 2 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END TP_Dap_93 C16H15ClO3 290.07097202000006 RDKit 2D;; 20 21 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 11 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 7 19 1 0; 19 20 2 0; 20 4 1 0; 17 9 1 0;M END TP_Dap_94 C5H8O5 148.037173356 RDKit 2D;; 10 9 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 3 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0;M END TP_Dap_95 C21H23ClO7 422.113230756 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 8.0116 12.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.0764 10.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.5931 11.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.6579 10.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2059 8.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.2707 7.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7874 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8522 6.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4002 5.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.4650 3.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 -2.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 -1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0209 2.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.4962 2.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.4315 3.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8835 4.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8187 6.0424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 2.2394 9.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1747 10.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 20 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0; 23 12 1 0;M END TP_Dap_96 C14H11ClO2 246.044757272 RDKit 2D;; 17 18 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 6 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 8 17 2 0; 17 3 1 0; 16 10 1 0;M END TP_Dap_97 C21H21ClO6 404.102666072 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 11 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 7 27 1 0; 27 28 2 0; 28 4 1 0; 25 9 1 0; 21 12 1 0;M END TP_Dap_98 C21H21ClO7 420.097580692 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 8.0116 12.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.0764 10.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.5931 11.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.6579 10.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2059 8.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.2707 7.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7874 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8522 6.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4002 5.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.4650 3.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0130 -2.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 -1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0209 2.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.4962 2.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.4315 3.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8835 4.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8187 6.0424 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 2.2394 9.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1747 10.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 2 0; 20 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0; 23 12 1 0;M END TP_Dap_99 C21H25ClO8 440.12379544 RDKit 2D;; 30 31 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 15 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 2 0; 22 24 1 0; 11 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 7 29 1 0; 29 30 2 0; 30 4 1 0; 27 9 1 0;M END TP_Dap_100 C21H23ClO7 422.113230756 RDKit 2D;; 29 30 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 11 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 29 4 1 0; 26 9 1 0;M END Ali ['1134152-28-5', '173334-57-1', '173334-58-2', '1327153-71-8'] C30H53N3O6 551.393436416 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 37 7 1 0;M END TP_Ali_1 C21H36N2O5 396.26242225199996 RDKit 2D;; 28 28 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 1 0; 5 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 2 0; 16 20 1 0; 20 21 1 0; 20 22 1 0; 9 23 1 0; 23 24 1 0; 23 25 1 0; 7 26 1 0; 26 27 2 0; 27 28 1 0; 27 3 1 0;M END TP_Ali_2 C24H39NO6 437.27773796799994 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 26 3 1 0;M END TP_Ali_3 C29H46N2O8 550.3254164319999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 37 39 1 0; 33 3 1 0;M END TP_Ali_4 ['1190-23-4', '503-66-2', '25718-95-0'] C3H6O3 90.031694052 RDKit 2D;; 6 5 0 0 0 0 0 0 0 0999 V2000; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0;M END TP_Ali_5 ['22364-56-3', '1026405-88-8', '14914-35-3', '13780-28-4', '13587-49-0', '13550-49-7', '84796-14-5', '34819-78-8', '13767-16-3', '14390-96-6', '14798-03-9', '15194-15-7', '14158-23-7', '6684-80-6', '7664-41-7'] H3N 17.026549096 RDKit 2D;; 1 0 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0;M END TP_Ali_6 C30H51N3O6 549.3777863519999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 37 7 1 0;M END TP_Ali_7 C29H47N3O7 549.341400844 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7010 11.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.2990 9.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.3481 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 24 25 1 0; 24 26 2 0; 16 27 1 0; 27 28 1 0; 27 29 1 0; 8 30 1 0; 30 31 1 0; 30 32 1 0; 6 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 2 0; 34 3 1 0;M END TP_Ali_8 C23H38N2O5 422.27807231599996 RDKit 2D;; 30 30 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 11 17 2 0; 4 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 2 0; 24 28 1 0; 28 29 1 0; 28 30 1 0; 17 6 1 0;M END TP_Ali_9 ['5770-06-9', '28563-35-1', '5770-05-8', '4206-31-9', '32479-98-4', '14742-26-8', '6853-31-2', '3046-50-2', '1849-29-2', '1455-13-6', '811-98-3', '67-56-1', '170082-17-4'] CH4O 32.026214748 RDKit 2D;; 2 1 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0;M END TP_Ali_10 C25H41NO7 467.2883026519999 RDKit 2D;; 33 33 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -7.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -4.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8481 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 18 23 1 0; 23 24 1 0; 23 25 1 0; 11 26 1 0; 26 27 1 0; 26 28 1 0; 9 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 1 0; 31 7 1 0;M END TP_Ali_11 C30H50N2O7 550.36180194 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 37 7 1 0;M END TP_Ali_12 C30H51N3O8 581.3676155919999 RDKit 2D;; 41 41 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 24 27 1 0; 27 28 1 0; 27 29 2 0; 19 30 1 0; 30 31 1 0; 30 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 33 36 1 0; 9 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 40 41 1 0; 39 7 1 0;M END TP_Ali_13 C30H48N2O8 564.3410664959999 RDKit 2D;; 40 40 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2990 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7010 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 24 27 1 0; 27 28 1 0; 27 29 2 0; 19 30 1 0; 30 31 1 0; 30 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 38 7 1 0;M END TP_Ali_14 C25H43N3O7 497.310100716 RDKit 2D;; 35 34 0 0 0 0 0 0 0 0999 V2000; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -11.6913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.2010 -13.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7990 -12.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -15.5885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 6 12 2 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 4 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 27 30 1 0; 30 31 1 0; 30 32 2 0; 22 33 1 0; 33 34 1 0; 33 35 1 0;M END TP_Ali_15 C28H47N3O7 537.341400844 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 15 17 1 0; 11 18 2 0; 4 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 32 1 0; 30 33 1 0; 33 34 1 0; 33 35 2 0; 25 36 1 0; 36 37 1 0; 36 38 1 0; 18 6 1 0;M END TP_Ali_16 C30H50N2O8 566.35671656 RDKit 2D;; 40 40 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 2 0; 26 28 1 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 32 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 38 7 1 0;M END TP_Ali_17 C30H51N3O8 581.367615592 RDKit 2D;; 41 41 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7010 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.2990 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -10.2990 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.3481 3.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.8481 5.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.8971 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.1962 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.8971 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2990 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7010 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 25 28 1 0; 28 29 1 0; 28 30 2 0; 19 31 1 0; 31 32 1 0; 31 33 1 0; 11 34 1 0; 34 35 1 0; 34 36 1 0; 9 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 40 41 1 0; 39 7 1 0;M END TP_Ali_18 C29H49N3O7 551.3570509079999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7010 11.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.2990 9.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.3481 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 24 25 1 0; 24 26 2 0; 16 27 1 0; 27 28 1 0; 27 29 1 0; 8 30 1 0; 30 31 1 0; 30 32 1 0; 6 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 34 3 1 0;M END TP_Ali_19 C21H35NO5 381.25152321999997 RDKit 2D;; 27 27 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 26 3 1 0;M END TP_Ali_20 C29H49N3O7 551.3570509079999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7010 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2990 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 6 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 34 3 1 0;M END TP_Ali_21 C30H51N3O8 581.3676155919999 RDKit 2D;; 41 41 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -4.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 33 36 1 0; 9 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 40 41 1 0; 39 7 1 0;M END TP_Ali_22 C25H42N2O6 466.30428706399994 RDKit 2D;; 33 33 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 11 13 2 0; 4 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 25 28 1 0; 28 29 2 0; 28 30 1 0; 20 31 1 0; 31 32 1 0; 31 33 1 0; 13 6 1 0;M END TP_Ali_23 C26H43N3O6 493.315186096 RDKit 2D;; 35 35 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7010 11.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.2990 9.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.3481 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 24 25 1 0; 24 26 2 0; 16 27 1 0; 27 28 1 0; 27 29 1 0; 8 30 1 0; 30 31 1 0; 30 32 1 0; 6 33 1 0; 33 34 2 0; 34 35 1 0; 34 3 1 0;M END TP_Ali_24 C25H43N3O5 465.320271476 RDKit 2D;; 33 33 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 11 13 2 0; 4 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 25 28 1 0; 28 29 1 0; 28 30 2 0; 20 31 1 0; 31 32 1 0; 31 33 1 0; 13 6 1 0;M END TP_Ali_25 C26H43N3O5 477.320271476 RDKit 2D;; 34 34 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 33 3 1 0;M END TP_Ali_26 C26H42N2O6 478.30428706399994 RDKit 2D;; 34 34 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 33 3 1 0;M END TP_Ali_27 C21H36N2O4 380.267507632 RDKit 2D;; 27 27 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 26 3 1 0;M END TP_Ali_28 ['2544-06-1', '38094-42-7'] C4H8O3 104.047344116 RDKit 2D;; 7 6 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 5 7 1 0;M END TP_Ali_29 ['116070-49-6'] C5H9NO3 131.058243148 RDKit 2D;; 9 8 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.5490 -0.5490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.9510 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 4 6 2 0; 2 7 1 0; 7 8 2 0; 7 9 1 0;M END TP_Ali_30 C28H49N3O6 523.362136288 RDKit 2D;; 37 37 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 11 17 2 0; 4 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 32 33 1 0; 32 34 2 0; 24 35 1 0; 35 36 1 0; 35 37 1 0; 17 6 1 0;M END TP_Ali_31 C29H47NO8 537.3301674639998 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 2 0; 23 25 1 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 33 3 1 0;M END TP_Ali_32 C24H37NO6 435.26208790399994 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 26 3 1 0;M END TP_Ali_33 C25H42N2O5 450.30937244399996 RDKit 2D;; 32 32 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 2 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 30 7 1 0;M END TP_Ali_34 C21H33NO5 379.23587315599997 RDKit 2D;; 27 27 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 26 3 1 0;M END TP_Ali_35 C30H50N2O8 566.35671656 RDKit 2D;; 40 40 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -4.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 2 0; 26 28 1 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 38 7 1 0;M END TP_Ali_36 C26H44N2O7 496.3148517479999 RDKit 2D;; 35 35 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 1 0; 5 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 24 25 2 0; 24 26 1 0; 16 27 1 0; 27 28 1 0; 27 29 1 0; 9 30 1 0; 30 31 1 0; 30 32 1 0; 7 33 1 0; 33 34 2 0; 34 35 1 0; 34 3 1 0;M END TP_Ali_37 C24H38O7 438.261753556 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 26 3 1 0;M END TP_Ali_38 C24H41NO6 439.29338803199994 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 26 3 1 0;M END TP_Ali_39 C29H49N3O6 535.362136288 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 33 3 1 0;M END TP_Ali_40 C25H42N2O6 466.30428706399994 RDKit 2D;; 33 33 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 2 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 25 28 1 0; 9 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 1 0; 31 7 1 0;M END TP_Ali_41 C25H43N3O6 481.315186096 RDKit 2D;; 34 34 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 8 10 2 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 4 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 2 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 26 29 1 0; 29 30 1 0; 29 31 2 0; 21 32 1 0; 32 33 1 0; 32 34 1 0; 13 6 1 0;M END TP_Ali_42 C30H49NO8 551.3458175279999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 2 0; 26 28 1 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 37 7 1 0;M END TP_Ali_43 C26H44N2O6 480.31993712799994 RDKit 2D;; 34 34 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 2 0; 23 25 1 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 33 3 1 0;M END TP_Ali_44 C20H33NO5 367.23587315599997 RDKit 2D;; 26 26 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 11 13 2 0; 4 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 21 23 1 0; 20 24 1 0; 24 25 1 0; 24 26 1 0; 13 6 1 0;M END TP_Ali_45 C24H39NO7 453.2726525879999 RDKit 2D;; 32 32 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 30 32 1 0; 26 3 1 0;M END TP_Ali_46 C26H45N3O6 495.33083616 RDKit 2D;; 35 35 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 1 0; 5 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 24 25 1 0; 24 26 2 0; 16 27 1 0; 27 28 1 0; 27 29 1 0; 9 30 1 0; 30 31 1 0; 30 32 1 0; 7 33 1 0; 33 34 2 0; 34 35 1 0; 34 3 1 0;M END TP_Ali_47 C24H40N2O5 436.29372237999996 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 26 3 1 0;M END TP_Ali_48 C29H49N3O7 551.3570509079999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 32 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 38 7 1 0;M END TP_Ali_49 C24H40N2O5 436.29372237999996 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 2 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 7 1 0;M END TP_Ali_50 C24H36O7 436.246103492 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 26 3 1 0;M END TP_Ali_51 C24H40N2O6 452.28863699999994 RDKit 2D;; 32 32 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 30 32 1 0; 26 3 1 0;M END TP_Ali_52 C30H51N3O8 581.3676155919999 RDKit 2D;; 41 41 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.4510 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.0490 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2990 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7010 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 24 27 1 0; 27 28 1 0; 27 29 2 0; 19 30 1 0; 30 31 1 0; 30 32 1 0; 30 33 1 0; 11 34 1 0; 34 35 1 0; 34 36 1 0; 9 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 40 41 1 0; 39 7 1 0;M END TP_Ali_53 C28H47N3O6 521.3464862239999 RDKit 2D;; 37 37 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 11 17 2 0; 4 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 32 33 1 0; 32 34 2 0; 24 35 1 0; 35 36 1 0; 35 37 1 0; 17 6 1 0;M END TP_Ali_54 C24H37NO6 435.26208790399994 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 26 3 1 0;M END TP_Ali_55 ['173400-13-0'] C30H52N2O7 552.3774520039999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 2 0; 26 28 1 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 37 7 1 0;M END TP_Ali_56 C29H48N2O8 552.3410664959999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 2 0; 23 25 1 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 37 39 1 0; 33 3 1 0;M END TP_Ali_57 C21H32O6 380.219888744 RDKit 2D;; 27 27 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 26 3 1 0;M END TP_Ali_58 C5H9NO2 115.063328528 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.5490 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 3.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.9510 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 2 6 1 0; 6 7 1 0; 6 8 2 0;M END TP_Ali_59 C23H37NO6 423.26208790399994 RDKit 2D;; 30 30 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 11 17 2 0; 4 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 24 28 1 0; 28 29 1 0; 28 30 1 0; 17 6 1 0;M END TP_Ali_60 C29H49N3O7 551.3570509079999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2010 5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.7990 4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 26 29 1 0; 8 30 1 0; 30 31 1 0; 30 32 1 0; 6 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 34 3 1 0;M END TP_Ali_61 C29H47N3O7 549.341400844 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 37 39 1 0; 33 3 1 0;M END TP_Ali_62 C29H45NO8 535.3145173999999 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 2 0; 23 25 1 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 33 3 1 0;M END TP_Ali_63 C29H49N3O7 551.3570509079999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -7.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -4.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8481 -6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.1471 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4462 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.6962 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.1962 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.7452 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.7452 -8.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.0442 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 24 27 1 0; 27 28 1 0; 27 29 2 0; 18 30 1 0; 30 31 1 0; 30 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 38 7 1 0;M END TP_Ali_64 C25H41N3O5 463.304621412 RDKit 2D;; 33 33 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 11 13 2 0; 4 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 25 28 1 0; 28 29 1 0; 28 30 2 0; 20 31 1 0; 31 32 1 0; 31 33 1 0; 13 6 1 0;M END TP_Ali_65 C26H43N3O6 493.315186096 RDKit 2D;; 35 35 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 2.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 5.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.4510 6.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.0490 6.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -11.0490 7.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.3481 8.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.0981 7.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.5981 9.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.6471 9.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.9462 8.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -13.6471 10.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 24 25 1 0; 24 26 2 0; 15 27 1 0; 27 28 1 0; 27 29 1 0; 8 30 1 0; 30 31 1 0; 30 32 1 0; 6 33 1 0; 33 34 2 0; 34 35 1 0; 34 3 1 0;M END TP_Ali_66 ['63101-50-8', '35907-63-2', '4906-87-0', '3228-27-1', '89277-65-6', '3046-49-9', '24286-05-3', '1664-98-8', '32008-59-6', '50-00-0', '30525-89-4'] CH2O 30.010564684 RDKit 2D;; 2 1 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0;M END TP_Ali_67 ['2806-84-0'] C4H8O2 88.052429496 RDKit 2D;; 6 5 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0;M END TP_Ali_68 C25H40N2O6 464.28863699999994 RDKit 2D;; 33 33 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 1 0; 16 19 1 0; 19 20 1 0; 19 21 2 0; 11 22 1 0; 22 23 1 0; 22 24 1 0; 4 25 1 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 29 31 1 0; 31 32 1 0; 31 33 2 0; 33 26 1 0;M END TP_Ali_69 C20H34N2O4 366.251857568 RDKit 2D;; 26 26 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 11 13 2 0; 4 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 2 0; 20 24 1 0; 24 25 1 0; 24 26 1 0; 13 6 1 0;M END TP_Ali_70 C20H33NO4 351.240958536 RDKit 2D;; 25 25 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 15 17 2 0; 11 18 1 0; 18 19 1 0; 18 20 1 0; 9 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 1 0; 23 7 1 0;M END TP_Ali_71 C29H50N2O7 538.36180194 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 2 0; 26 28 1 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 37 7 1 0;M END TP_Ali_72 C23H40N2O5 424.29372237999996 RDKit 2D;; 30 30 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 11 17 2 0; 4 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 2 0; 24 28 1 0; 28 29 1 0; 28 30 1 0; 17 6 1 0;M END TP_Ali_73 C24H39NO6 437.27773796799994 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 7 1 0;M END TP_Ali_74 C24H42N2O5 438.30937244399996 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 26 3 1 0;M END TP_Ali_75 C29H47N3O6 533.3464862239999 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 33 3 1 0;M END TP_Ali_76 C25H43NO6 453.30903809599994 RDKit 2D;; 32 32 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 30 7 1 0;M END TP_Ali_77 C23H39NO6 425.27773796799994 RDKit 2D;; 30 30 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 11 17 2 0; 4 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 24 28 1 0; 28 29 1 0; 28 30 1 0; 17 6 1 0;M END TP_Ali_78 C30H51N3O7 565.372700972 RDKit 2D;; 40 40 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -4.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 38 7 1 0;M END TP_Ali_79 C29H46N2O7 534.330501812 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 33 3 1 0;M END TP_Ali_80 ['147173-07-7', '925-94-0', '917-71-5', '1633-56-3', '1633-55-2', '920-42-3', '64-18-6', '14523-98-9', '82069-14-5', '71-47-6'] CH2O2 46.005479304 RDKit 2D;; 3 2 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0;M END TP_Ali_81 C25H41NO7 467.2883026519999 RDKit 2D;; 33 33 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2990 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7010 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 19 23 1 0; 23 24 1 0; 23 25 1 0; 11 26 1 0; 26 27 1 0; 26 28 1 0; 9 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 1 0; 31 7 1 0;M END TP_Ali_82 C29H46N2O7 534.330501812 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 2 0; 23 25 1 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 33 3 1 0;M END TP_Ali_83 C24H39NO6 437.277737968 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 2 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 7 1 0;M END TP_Ali_84 C29H49N3O7 551.3570509079999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -4.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 38 7 1 0;M END TP_Ali_85 C29H48N2O7 536.3461518759999 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 33 3 1 0;M END TP_Ali_86 ['949925-76-2'] C29H51N3O6 537.3777863519999 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 33 3 1 0;M END TP_Ali_87 C30H47NO8 549.3301674639999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 2 0; 26 28 1 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 37 7 1 0;M END TP_Ali_88 C26H40N2O6 476.28863699999994 RDKit 2D;; 34 34 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 33 3 1 0;M END TP_Ali_89 C30H48N2O8 564.3410664959999 RDKit 2D;; 40 40 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -4.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 38 7 1 0;M END TP_Ali_90 C25H41NO6 451.293388032 RDKit 2D;; 32 32 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 2 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 30 7 1 0;M END TP_Ali_91 C26H42N2O7 494.29920168399997 RDKit 2D;; 35 35 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 1 0; 5 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 24 25 1 0; 24 26 2 0; 16 27 1 0; 27 28 1 0; 27 29 1 0; 9 30 1 0; 30 31 1 0; 30 32 1 0; 7 33 1 0; 33 34 2 0; 34 35 1 0; 34 3 1 0;M END TP_Ali_92 C25H41NO7 467.2883026519999 RDKit 2D;; 33 33 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -4.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 22 25 1 0; 11 26 1 0; 26 27 1 0; 26 28 1 0; 9 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 1 0; 31 7 1 0;M END TP_Ali_93 ['949925-75-1'] C29H49N3O7 551.3570509079999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 37 39 1 0; 33 3 1 0;M END TP_Ali_94 C30H51N3O7 565.372700972 RDKit 2D;; 40 40 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 32 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 38 7 1 0;M END TP_Ali_95 C25H41NO7 467.2883026519999 RDKit 2D;; 33 33 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 25 28 1 0; 9 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 1 0; 31 7 1 0;M END TP_Ali_96 C29H49N3O6 535.362136288 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 33 3 1 0;M END TP_Ali_97 C24H42N2O5 438.30937244399996 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 2 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 7 1 0;M END TP_Ali_98 C28H48N2O7 524.3461518759999 RDKit 2D;; 37 37 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 11 17 2 0; 4 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 32 33 2 0; 32 34 1 0; 24 35 1 0; 35 36 1 0; 35 37 1 0; 17 6 1 0;M END TP_Ali_99 C30H51N3O7 565.372700972 RDKit 2D;; 40 40 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2990 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7010 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 24 27 1 0; 27 28 1 0; 27 29 2 0; 19 30 1 0; 30 31 1 0; 30 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 38 7 1 0;M END TP_Ali_100 C24H38N2O5 434.27807231599996 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 26 3 1 0;M END TP_Ali_101 ['949925-74-0'] C29H51N3O6 537.3777863519999 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 37 7 1 0;M END TP_Ali_102 C21H35NO6 397.24643784 RDKit 2D;; 28 28 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 1 0; 5 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 16 20 1 0; 20 21 1 0; 20 22 1 0; 9 23 1 0; 23 24 1 0; 23 25 1 0; 7 26 1 0; 26 27 2 0; 27 28 1 0; 27 3 1 0;M END TP_Ali_103 C30H51N3O8 581.3676155919999 RDKit 2D;; 41 41 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -7.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -4.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8481 -6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.1471 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4462 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.6962 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.1962 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.7452 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.7452 -8.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.0442 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.4419 -7.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7010 -8.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 24 27 1 0; 27 28 1 0; 27 29 2 0; 18 30 1 0; 30 31 1 0; 30 32 1 0; 30 33 1 0; 11 34 1 0; 34 35 1 0; 34 36 1 0; 9 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 40 41 1 0; 39 7 1 0;M END TP_Ali_104 C29H49N3O7 551.3570509079999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 2.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 5.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.4510 6.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.0490 6.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -11.0490 7.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.3481 8.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.0981 7.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.5981 9.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.6471 9.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.9462 8.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -13.6471 10.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 24 25 1 0; 24 26 2 0; 15 27 1 0; 27 28 1 0; 27 29 1 0; 8 30 1 0; 30 31 1 0; 30 32 1 0; 6 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 34 3 1 0;M END TP_Ali_105 ['19036-43-2'] C5H11NO2 117.078978592 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.5490 -0.5490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.9510 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 2 6 1 0; 6 7 2 0; 6 8 1 0;M END TP_Ali_106 C25H39NO6 449.277737968 RDKit 2D;; 32 32 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 2 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 30 7 1 0;M END TP_Ali_107 C25H42N2O6 466.30428706399994 RDKit 2D;; 33 33 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -4.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 2 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 22 25 1 0; 11 26 1 0; 26 27 1 0; 26 28 1 0; 9 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 1 0; 31 7 1 0;M END TP_Ali_108 C29H47NO8 537.3301674639999 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 2 0; 26 28 1 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 37 7 1 0;M END TP_Ali_109 C28H46N2O7 522.330501812 RDKit 2D;; 37 37 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 11 17 2 0; 4 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 32 33 2 0; 32 34 1 0; 24 35 1 0; 35 36 1 0; 35 37 1 0; 17 6 1 0;M END TP_Ali_110 C24H41NO6 439.29338803199994 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 7 1 0;M END TP_Ali_111 ['68243-82-3'] C5H8O3 116.047344116 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.5490 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.9510 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 2 6 1 0; 6 7 2 0; 6 8 1 0;M END TP_Ali_112 C30H48N2O7 548.346151876 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 37 7 1 0;M END TP_Ali_113 ['1020719-64-5', '563-83-7', '68424-61-3'] C4H9NO 87.068413908 RDKit 2D;; 6 5 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 4 6 2 0;M END TP_Ali_114 C25H40O7 452.2774036199999 RDKit 2D;; 32 32 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 30 7 1 0;M END TP_Ali_115 C26H41NO7 479.2883026519999 RDKit 2D;; 34 34 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 2 0; 23 25 1 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 33 3 1 0;M END TP_Ali_116 C25H42N2O6 466.30428706399994 RDKit 2D;; 33 33 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2990 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7010 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 2 0; 19 23 1 0; 23 24 1 0; 23 25 1 0; 11 26 1 0; 26 27 1 0; 26 28 1 0; 9 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 1 0; 31 7 1 0;M END TP_Ali_117 C26H43N3O6 493.315186096 RDKit 2D;; 35 35 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2010 5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.7990 4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 26 29 1 0; 8 30 1 0; 30 31 1 0; 30 32 1 0; 6 33 1 0; 33 34 2 0; 34 35 1 0; 34 3 1 0;M END TP_Ali_118 C21H33NO5 379.23587315599997 RDKit 2D;; 27 27 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 26 3 1 0;M END TP_Ali_119 ['595-46-0'] C5H8O4 132.042258736 RDKit 2D;; 9 8 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.5490 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.9510 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 4 6 1 0; 2 7 1 0; 7 8 2 0; 7 9 1 0;M END TP_Ali_120 C25H38O7 450.2617535559999 RDKit 2D;; 32 32 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 30 7 1 0;M END TP_Ali_121 C29H48N2O7 536.3461518759999 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 2 0; 23 25 1 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 33 3 1 0;M END TP_Ali_122 C30H50N2O7 550.36180194 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 2 0; 26 28 1 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 1 0; 37 7 1 0;M END TP_Ali_123 C30H48N2O8 564.3410664959999 RDKit 2D;; 40 40 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 32 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 38 7 1 0;M END TP_Ali_124 C29H48N2O7 536.3461518759999 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 2 0; 23 25 1 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 33 3 1 0;M END TP_Ali_125 C21H34N2O4 378.251857568 RDKit 2D;; 27 27 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 26 3 1 0;M END TP_Ali_126 C25H42N2O6 466.30428706399994 RDKit 2D;; 33 33 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -7.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.8481 -6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -4.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 2 0; 18 23 1 0; 23 24 1 0; 23 25 1 0; 11 26 1 0; 26 27 1 0; 26 28 1 0; 9 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 1 0; 31 7 1 0;M END TP_Ali_127 ['2134-29-4', '118606-97-6'] C3H6O2 74.036779432 RDKit 2D;; 5 4 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0;M END TP_Ali_128 C30H51N3O8 581.3676155919999 RDKit 2D;; 41 41 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -7.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -4.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8481 -6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.1471 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4462 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.6962 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.1962 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.7452 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.7452 -8.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.0442 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 24 27 1 0; 27 28 1 0; 27 29 2 0; 18 30 1 0; 30 31 1 0; 30 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 33 36 1 0; 9 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 40 41 1 0; 39 7 1 0;M END TP_Ali_129 ['949925-77-3'] C26H45N3O5 479.33592154 RDKit 2D;; 34 34 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 33 3 1 0;M END TP_Ali_130 C29H49N3O7 551.3570509079999 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2990 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7010 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 24 27 1 0; 27 28 1 0; 27 29 2 0; 19 30 1 0; 30 31 1 0; 30 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 38 7 1 0;M END TP_Ali_131 C28H45N3O6 519.33083616 RDKit 2D;; 37 37 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 11 17 2 0; 4 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 32 33 1 0; 32 34 2 0; 24 35 1 0; 35 36 1 0; 35 37 1 0; 17 6 1 0;M END TP_Ali_132 C24H39NO6 437.27773796799994 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 26 3 1 0;M END TP_Ali_133 C24H39NO6 437.27773796799994 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 26 3 1 0;M END TP_Ali_134 C29H46N2O7 534.330501812 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 37 7 1 0;M END TP_Ali_135 C24H38O7 438.2617535559999 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 7 1 0;M END TP_Ali_136 C29H49N3O6 535.362136288 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 37 7 1 0;M END TP_Ali_137 C26H43N3O6 493.315186096 RDKit 2D;; 35 35 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 1 0; 5 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 24 25 1 0; 24 26 2 0; 16 27 1 0; 27 28 1 0; 27 29 1 0; 9 30 1 0; 30 31 1 0; 30 32 1 0; 7 33 1 0; 33 34 2 0; 34 35 1 0; 34 3 1 0;M END TP_Ali_138 C29H50N2O7 538.36180194 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 2 0; 23 25 1 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 33 3 1 0;M END TP_Ali_139 C30H48N2O8 564.3410664959999 RDKit 2D;; 40 40 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -7.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -4.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8481 -6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.1471 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4462 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.6962 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.1962 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.7452 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.7452 -8.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.0442 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 24 27 1 0; 27 28 1 0; 27 29 2 0; 18 30 1 0; 30 31 1 0; 30 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 38 7 1 0;M END TP_Ali_140 ['1104900-39-1', '140460-44-2', '6713-71-9'] C4H8O4 120.04225873600001 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 4 6 1 0; 6 7 2 0; 6 8 1 0;M END TP_Ali_141 C30H50N2O8 566.35671656 RDKit 2D;; 40 40 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2990 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7010 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 24 27 1 0; 27 28 2 0; 27 29 1 0; 19 30 1 0; 30 31 1 0; 30 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 38 7 1 0;M END TP_Ali_142 C24H43N3O6 469.315186096 RDKit 2D;; 33 32 0 0 0 0 0 0 0 0999 V2000; -4.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7990 -9.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.2010 -11.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -11.6913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 11 13 1 0; 4 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 25 28 1 0; 28 29 1 0; 28 30 2 0; 20 31 1 0; 31 32 1 0; 31 33 1 0;M END TP_Ali_143 C29H47N3O7 549.341400844 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 2.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 5.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.4510 6.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.0490 6.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -11.0490 7.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.3481 8.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.0981 7.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.5981 9.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.6471 9.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.9462 8.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -13.6471 10.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 24 25 1 0; 24 26 2 0; 15 27 1 0; 27 28 1 0; 27 29 1 0; 8 30 1 0; 30 31 1 0; 30 32 1 0; 6 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 2 0; 34 3 1 0;M END TP_Ali_144 C24H40N2O5 436.29372237999996 RDKit 2D;; 31 31 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 2 0; 15 19 1 0; 19 20 1 0; 19 21 1 0; 8 22 1 0; 22 23 1 0; 22 24 1 0; 6 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 26 3 1 0;M END TP_Ali_145 C28H44N2O7 520.3148517479999 RDKit 2D;; 37 37 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 1 0; 16 19 1 0; 19 20 1 0; 19 21 2 0; 11 22 1 0; 22 23 1 0; 22 24 1 0; 4 25 1 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 29 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 2 0; 31 37 2 0; 37 26 1 0;M END TP_Ali_146 C29H46N2O7 534.330501812 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 33 3 1 0;M END TP_Ali_147 C29H47N3O7 549.341400844 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7010 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2990 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 6 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 2 0; 34 3 1 0;M END TP_Ali_148 C29H48N2O7 536.346151876 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 1 0; 26 28 2 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 37 7 1 0;M END TP_Ali_149 C29H44N2O7 532.3148517479999 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 33 3 1 0;M END TP_Ali_150 C29H48N2O7 536.3461518759999 RDKit 2D;; 38 38 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 26 27 2 0; 26 28 1 0; 18 29 1 0; 29 30 1 0; 29 31 1 0; 11 32 1 0; 32 33 1 0; 32 34 1 0; 9 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 37 7 1 0;M END TP_Ali_151 C29H47N3O7 549.341400844 RDKit 2D;; 39 39 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2010 5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.7990 4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 26 29 1 0; 8 30 1 0; 30 31 1 0; 30 32 1 0; 6 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 38 39 2 0; 34 3 1 0;M END TP_Ali_152 C25H44N2O5 452.32502250799996 RDKit 2D;; 32 32 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 2 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 30 7 1 0;M END TP_Ali_153 C24H43N3O6 469.31518609600005 RDKit 2D;; 33 32 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 13.7404 -3.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.2404 -5.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.5885 -4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 14.2894 -6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.6913 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 2 0; 6 8 1 0; 2 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 22 25 1 0; 25 26 1 0; 25 27 2 0; 17 28 1 0; 28 29 1 0; 28 30 1 0; 10 31 1 0; 31 32 1 0; 31 33 1 0;M END TP_Ali_154 C28H46N2O7 522.330501812 RDKit 2D;; 37 37 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 1 0; 16 19 1 0; 19 20 1 0; 19 21 2 0; 11 22 1 0; 22 23 1 0; 22 24 1 0; 4 25 1 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 29 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 31 37 2 0; 37 26 1 0;M END TP_Ali_155 C30H50N2O8 566.35671656 RDKit 2D;; 40 40 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -7.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -4.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8481 -6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.1471 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4462 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.6962 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.1962 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.7452 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.0442 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.7452 -8.7452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 24 27 1 0; 27 28 2 0; 27 29 1 0; 18 30 1 0; 30 31 1 0; 30 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 38 7 1 0;M END TP_Ali_156 ['926-61-4'] C3H4O3 88.016043988 RDKit 2D;; 6 5 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 4 6 1 0;M END TP_Ali_157 C10H18N2O3 214.131742436 RDKit 2D;; 15 14 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.3971 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.3971 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 9.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 10 13 1 0; 13 14 1 0; 13 15 2 0;M END TP_Ali_158 C26H42N2O6 478.30428706399994 RDKit 2D;; 34 34 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 2 0; 23 25 1 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 6 32 1 0; 32 33 2 0; 33 34 1 0; 33 3 1 0;M END TP_Ali_159 ['1246820-97-2', '324763-51-1'] C5H12N2O 116.094963004 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.5490 -0.5490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 3.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.9510 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 2 6 1 0; 6 7 1 0; 6 8 2 0;M END TP_Ali_160 C28H47N3O6 521.3464862239999 RDKit 2D;; 37 37 0 0 0 0 0 0 0 0999 V2000; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 16.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 11 17 2 0; 4 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 32 33 1 0; 32 34 2 0; 24 35 1 0; 35 36 1 0; 35 37 1 0; 17 6 1 0;M END TP_Ali_161 C30H51N3O7 565.372700972 RDKit 2D;; 40 40 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -7.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -4.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.8481 -6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.1471 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4462 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.6962 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.1962 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.7452 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.7452 -8.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.0442 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 24 27 1 0; 27 28 1 0; 27 29 2 0; 18 30 1 0; 30 31 1 0; 30 32 1 0; 11 33 1 0; 33 34 1 0; 33 35 1 0; 9 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 1 0; 38 7 1 0;M END TP_Ali_162 C26H43N3O6 493.315186096 RDKit 2D;; 35 35 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7010 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2990 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 23 24 1 0; 23 25 2 0; 15 26 1 0; 26 27 1 0; 26 28 1 0; 8 29 1 0; 29 30 1 0; 29 31 1 0; 29 32 1 0; 6 33 1 0; 33 34 2 0; 34 35 1 0; 34 3 1 0;M END TP_Ali_163 C5H9NO4 147.053157768 RDKit 2D;; 10 9 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.5490 -0.5490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.9510 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 2 0; 2 8 1 0; 8 9 2 0; 8 10 1 0;M END TP_Ali_164 C25H41NO6 451.29338803199994 RDKit 2D;; 32 32 0 0 0 0 0 0 0 0999 V2000; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 18 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 1 0; 25 26 1 0; 25 27 1 0; 9 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 30 7 1 0;M END Das ['1132093-70-9', '302962-49-8', '302962-49-8'] C22H26ClN7O2S 487.15572175200003 RDKit 2D;; 33 36 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 4 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 27 31 1 0; 31 32 1 0; 23 33 2 0; 33 2 1 0; 21 6 1 0; 32 24 1 0; 19 13 1 0;M END TP_Das_1 C15H18N6O4S 378.11102405599996 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 9 13 1 0; 4 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 21 23 1 0; 19 24 1 0; 24 25 1 0; 15 26 2 0; 26 2 1 0; 13 6 1 0; 25 16 1 0;M END TP_Das_2 ['5835-28-9'] C4H9NO3 119.058243148 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0;M END TP_Das_3 C20H22ClN7O3S 475.119336244 RDKit 2D;; 32 35 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -4.4918 -0.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.5826 -0.6346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 21 22 2 0; 21 23 2 0; 4 24 2 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 25 32 2 0; 32 2 1 0; 21 6 1 0; 31 26 1 0; 19 13 1 0;M END TP_Das_4 C6H8ClNO3 177.019270796 RDKit 2D;; 11 10 0 0 0 0 0 0 0 0999 V2000; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 3 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 2 0; 9 11 1 0;M END TP_Das_5 C7H8ClNO3 189.019270796 RDKit 2D;; 12 12 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 3 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 9 11 2 0; 11 12 1 0; 11 2 1 0;M END TP_Das_6 C7H8ClNO2 173.024356176 RDKit 2D;; 11 11 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 3 5 1 0; 5 6 1 0; 5 7 2 0; 7 8 1 0; 8 9 1 0; 8 10 2 0; 10 11 1 0; 10 2 1 0;M END TP_Das_7 C4H9NO2 103.063328528 RDKit 2D;; 7 6 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0;M END TP_Das_8 C14H18N6OS 318.126280196 RDKit 2D;; 22 24 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 4 11 2 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 16 20 1 0; 20 21 1 0; 12 22 2 0; 22 2 1 0; 10 6 1 0; 21 13 1 0;M END TP_Das_9 C22H26ClN7O3S 503.150636372 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.4182 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 21 22 2 0; 4 23 2 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 28 32 1 0; 32 33 1 0; 24 34 2 0; 34 2 1 0; 21 6 1 0; 33 25 1 0; 19 13 1 0;M END TP_Das_10 ['1219802-89-7', '143557-81-7', '85047-08-1', '637344-08-2', '33598-78-6', '141-43-5', '12220-07-4', '12220-09-6', '26778-51-8'] C2H7NO 61.052763844 RDKit 2D;; 4 3 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0;M END TP_Das_11 C20H22ClN7O3S 475.119336244 RDKit 2D;; 32 34 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.4182 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 21 22 2 0; 4 23 2 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 25 29 1 0; 29 30 1 0; 30 31 1 0; 24 32 2 0; 32 2 1 0; 21 6 1 0; 19 13 1 0;M END TP_Das_12 C7H8ClNO3 189.019270796 RDKit 2D;; 12 12 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 3 5 1 0; 5 6 2 0; 6 7 1 0; 6 8 1 0; 8 9 1 0; 8 10 2 0; 10 11 1 0; 11 12 1 0; 10 2 1 0;M END TP_Das_13 ['298-12-4', '563-96-2'] C2H2O3 74.00039392400001 RDKit 2D;; 5 4 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0; 3 5 1 0;M END TP_Das_14 C22H26ClN7O4S 519.145550992 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.0078 5.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2213 4.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0645 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5917 5.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7484 7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.5349 7.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1646 7.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9511 8.2331 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 1.7455 2.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 8 12 1 0; 12 13 1 0; 13 14 1 0; 4 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 22 24 1 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 26 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 21 33 1 0; 33 34 2 0; 16 35 2 0; 35 2 1 0; 33 18 1 0; 31 25 1 0;M END TP_Das_15 C7H8ClNO2 173.024356176 RDKit 2D;; 11 11 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 4 6 2 0; 6 7 1 0; 6 8 1 0; 8 9 1 0; 8 10 2 0; 10 11 1 0; 10 2 1 0;M END TP_Das_16 C7H7ClO3 174.008371764 RDKit 2D;; 11 11 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 4 6 2 0; 6 7 1 0; 6 8 1 0; 8 9 1 0; 8 10 2 0; 10 11 1 0; 10 2 1 0;M END TP_Das_17 C15H20N6O3S 364.1317595 RDKit 2D;; 25 27 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 9 13 1 0; 4 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 19 23 1 0; 23 24 1 0; 15 25 2 0; 25 2 1 0; 13 6 1 0; 24 16 1 0;M END TP_Das_18 ['285977-76-6', '1173022-32-6', '109945-04-2', '55511-07-4', '120416-14-0', '147416-04-4', '149748-09-4', '159037-04-4', '57745-60-5', '17217-83-3', '63459-47-2', '107745-70-0', '79562-15-5', '63459-47-2', '1563-80-0', '16651-47-1', '1563-79-7', '63459-47-2', '1186-52-3', '758-12-3', '78887-71-5', '2845-03-6', '1112-02-3', '64-19-7', '68475-71-8', '63459-47-2', '546-67-8', '4843-45-2', '158461-04-2', '71-50-1'] C2H4O2 60.021129368000004 RDKit 2D;; 4 3 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0;M END TP_Das_19 C22H26ClN7O4S 519.145550992 RDKit 2D;; 35 38 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -4.4918 -0.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.5826 -0.6346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 21 22 2 0; 21 23 2 0; 4 24 2 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 29 33 1 0; 33 34 1 0; 25 35 2 0; 35 2 1 0; 21 6 1 0; 34 26 1 0; 19 13 1 0;M END TP_Das_20 C22H26ClN7O3S 503.150636372 RDKit 2D;; 34 36 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.0078 5.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2213 4.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0645 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5917 5.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7484 7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.5349 7.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1646 7.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9511 8.2331 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 8 12 1 0; 12 13 1 0; 13 14 1 0; 4 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 22 24 1 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 26 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 21 33 1 0; 16 34 2 0; 34 2 1 0; 33 18 1 0; 31 25 1 0;M END TP_Das_21 C15H20N6O5S 396.12158874 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.4182 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 9 13 1 0; 13 14 2 0; 4 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 17 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 16 27 2 0; 27 2 1 0; 13 6 1 0;M END TP_Das_22 C13H16N6O3S 336.100459372 RDKit 2D;; 23 24 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 4 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 18 22 1 0; 13 23 2 0; 23 2 1 0; 22 15 1 0;M END TP_Das_23 C7H8ClNO4 205.014185416 RDKit 2D;; 13 12 0 0 0 0 0 0 0 0999 V2000; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 2 6 2 0; 6 7 1 0; 6 8 1 0; 8 9 1 0; 8 10 2 0; 10 11 1 0; 11 12 2 0; 11 13 1 0;M END TP_Das_24 C15H18N6O4S 378.111024056 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.4182 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 9 13 1 0; 13 14 2 0; 4 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 2 0; 20 24 1 0; 24 25 1 0; 16 26 2 0; 26 2 1 0; 13 6 1 0; 25 17 1 0;M END TP_Das_25 C22H26ClN7O4S 519.145550992 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.4182 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 21 22 2 0; 4 23 2 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 25 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 24 35 2 0; 35 2 1 0; 21 6 1 0; 19 13 1 0;M END TP_Das_26 C22H24ClN7O4S 517.129900928 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 4 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 24 31 1 0; 31 32 1 0; 32 33 2 0; 32 34 1 0; 23 35 2 0; 35 2 1 0; 21 6 1 0; 19 13 1 0;M END TP_Das_27 C5H6ClNO3 163.003620732 RDKit 2D;; 10 9 0 0 0 0 0 0 0 0999 V2000; -0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 3 5 1 0; 5 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 2 0; 8 10 1 0;M END TP_Das_28 C13H16N6O3S 336.10045937200005 RDKit 2D;; 23 24 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 9 13 1 0; 4 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 16 20 1 0; 20 21 1 0; 21 22 1 0; 15 23 2 0; 23 2 1 0; 13 6 1 0;M END TP_Das_29 C14H20N6O2S 336.13684488000007 RDKit 2D;; 23 24 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 8 12 1 0; 12 13 1 0; 13 14 1 0; 4 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 16 23 2 0; 23 2 1 0; 22 18 1 0;M END TP_Das_30 C14H20N6O2S 336.13684488 RDKit 2D;; 23 25 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.4182 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 4 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 17 21 1 0; 21 22 1 0; 13 23 2 0; 23 2 1 0; 10 6 1 0; 22 14 1 0;M END TP_Das_31 C7H8ClNO4 205.014185416 RDKit 2D;; 13 12 0 0 0 0 0 0 0 0999 V2000; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 4 6 1 0; 2 7 1 0; 7 8 1 0; 7 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 2 0; 11 13 1 0;M END TP_Das_32 C20H22ClN7O3S 475.119336244 RDKit 2D;; 32 34 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.0078 5.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2213 4.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0645 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5917 5.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7484 7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.5349 7.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1646 7.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9511 8.2331 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 4 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 19 31 1 0; 14 32 2 0; 32 2 1 0; 31 16 1 0; 29 23 1 0;M END TP_Das_33 C12H16N6S 276.115715512 RDKit 2D;; 19 21 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 4 11 2 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 12 19 2 0; 19 2 1 0; 10 6 1 0; 18 13 1 0;M END TP_Das_34 C15H20N6O4S 380.12667412 RDKit 2D;; 26 27 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 8 12 1 0; 12 13 1 0; 13 14 1 0; 4 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 22 24 1 0; 21 25 1 0; 16 26 2 0; 26 2 1 0; 25 18 1 0;M END TP_Das_35 C16H15ClN6OS 374.07165778 RDKit 2D;; 25 27 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.0078 5.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2213 4.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0645 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5917 5.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7484 7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.5349 7.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1646 7.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9511 8.2331 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 4 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 12 24 1 0; 7 25 2 0; 25 2 1 0; 24 9 1 0; 22 16 1 0;M END TP_Das_36 C15H18N6O3S 362.116109436 RDKit 2D;; 25 27 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 9 13 1 0; 4 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 19 23 1 0; 23 24 1 0; 15 25 2 0; 25 2 1 0; 13 6 1 0; 24 16 1 0;M END TP_Das_37 C6H8ClNO3 177.019270796 RDKit 2D;; 11 10 0 0 0 0 0 0 0 0999 V2000; -2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 2 0; 5 7 1 0; 2 8 1 0; 8 9 1 0; 8 10 2 0; 10 11 1 0;M END TP_Das_38 ['147173-07-7', '925-94-0', '917-71-5', '1633-56-3', '1633-55-2', '920-42-3', '64-18-6', '14523-98-9', '82069-14-5', '71-47-6'] CH2O2 46.005479304 RDKit 2D;; 3 2 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0;M END TP_Das_39 C6H11NO4 161.068807832 RDKit 2D;; 11 10 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 4 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0;M END TP_Das_40 C22H24ClN7O4S 517.1299009280001 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.0078 5.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2213 4.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0645 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5917 5.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7484 7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.5349 7.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1646 7.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9511 8.2331 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 8 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 4 16 2 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 22 34 1 0; 17 35 2 0; 35 2 1 0; 34 19 1 0; 32 26 1 0;M END TP_Das_41 C22H26ClN7O5S 535.140465612 RDKit 2D;; 36 38 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.4182 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 21 22 2 0; 4 23 2 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 25 32 1 0; 32 33 1 0; 33 34 2 0; 33 35 1 0; 24 36 2 0; 36 2 1 0; 21 6 1 0; 19 13 1 0;M END TP_Das_42 C20H22ClN7O2S 459.12442162400004 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.4182 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 21 22 2 0; 4 23 2 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 24 31 2 0; 31 2 1 0; 21 6 1 0; 30 25 1 0; 19 13 1 0;M END TP_Das_43 C20H22ClN7O2S 459.124421624 RDKit 2D;; 31 33 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.0078 5.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2213 4.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0645 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5917 5.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7484 7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.5349 7.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1646 7.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9511 8.2331 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 4 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 18 30 1 0; 13 31 2 0; 31 2 1 0; 30 15 1 0; 28 22 1 0;M END TP_Das_44 C22H26ClN7O4S 519.145550992 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.0078 5.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2213 4.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0645 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5917 5.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7484 7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.5349 7.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1646 7.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9511 8.2331 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 8 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 4 16 2 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 22 34 1 0; 17 35 2 0; 35 2 1 0; 34 19 1 0; 32 26 1 0;M END TP_Das_45 C11H9ClN2O4S 299.99715544799994 RDKit 2D;; 19 20 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 6.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 7.5702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 6.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.6740 7.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 5.3529 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 4.4836 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 3.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 6 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 2 0; 17 19 2 0; 8 2 1 0; 17 12 1 0;M END TP_Das_46 C18H17ClN6O2S 416.08222246400004 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.0078 5.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2213 4.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0645 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5917 5.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7484 7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.5349 7.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1646 7.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9511 8.2331 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 4 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 20 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 15 27 1 0; 10 28 2 0; 28 2 1 0; 27 12 1 0; 25 19 1 0;M END TP_Das_47 C15H20N6O5S 396.12158873999994 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 8 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 4 16 2 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 22 26 1 0; 17 27 2 0; 27 2 1 0; 26 19 1 0;M END TP_Das_48 ['87-63-8'] C7H8ClN 141.034526936 RDKit 2D;; 9 9 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 6 8 2 0; 8 9 1 0; 8 2 1 0;M END TP_Das_49 ['1189998-96-6', '910297-51-7'] C20H22ClN7OS 443.12950700400006 RDKit 2D;; 30 33 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 4 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 23 30 2 0; 30 2 1 0; 21 6 1 0; 29 24 1 0; 19 13 1 0;M END TP_Das_50 C22H24ClN7O3S 501.134986308 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.4182 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 21 22 2 0; 4 23 2 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 28 32 1 0; 32 33 1 0; 24 34 2 0; 34 2 1 0; 21 6 1 0; 33 25 1 0; 19 13 1 0;M END TP_Das_51 C22H26ClN7O3S 503.150636372 RDKit 2D;; 34 36 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 4 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 24 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 23 34 2 0; 34 2 1 0; 21 6 1 0; 19 13 1 0;M END TP_Das_52 ['478529-67-8', '478529-69-0', '71122-42-4', '141-46-8'] C2H4O2 60.021129368000004 RDKit 2D;; 4 3 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0;M END TP_Das_53 ['910297-53-9'] C22H24ClN7O3S 501.134986308 RDKit 2D;; 34 37 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 4 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 29 31 1 0; 27 32 1 0; 32 33 1 0; 23 34 2 0; 34 2 1 0; 21 6 1 0; 33 24 1 0; 19 13 1 0;M END TP_Das_54 ['914347-48-1', '723510-50-7'] C11H19N5O 237.15896022799998 RDKit 2D;; 17 18 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 4 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 11 15 1 0; 15 16 1 0; 7 17 2 0; 17 2 1 0; 16 8 1 0;M END TP_Das_55 C15H20N6O5S 396.12158874000005 RDKit 2D;; 27 29 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -4.4918 -0.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.5826 -0.6346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 9 13 1 0; 13 14 2 0; 13 15 2 0; 4 16 2 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 21 25 1 0; 25 26 1 0; 17 27 2 0; 27 2 1 0; 13 6 1 0; 26 18 1 0;M END TP_Das_56 C15H20N6O4S 380.12667412 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.4182 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 9 13 1 0; 13 14 2 0; 4 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 20 24 1 0; 24 25 1 0; 16 26 2 0; 26 2 1 0; 13 6 1 0; 25 17 1 0;M END TP_Das_57 ['75502-10-2', '111389-68-5', '666-14-8', '79-14-1', '26124-68-5'] C2H4O3 76.01604398799999 RDKit 2D;; 5 4 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0;M END TP_Das_58 ['397322-82-6'] C7H6ClNO 155.013791492 RDKit 2D;; 10 10 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 3 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 8 2 1 0;M END TP_Das_59 C20H22ClN7O3S 475.11933624399995 RDKit 2D;; 32 34 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.0078 5.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2213 4.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0645 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5917 5.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7484 7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.5349 7.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1646 7.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9511 8.2331 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 1.7455 2.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 4 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 18 30 1 0; 30 31 2 0; 13 32 2 0; 32 2 1 0; 30 15 1 0; 28 22 1 0;M END TP_Das_60 C15H20N6O5S 396.12158873999994 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 9 13 1 0; 4 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 16 23 1 0; 23 24 1 0; 24 25 2 0; 24 26 1 0; 15 27 2 0; 27 2 1 0; 13 6 1 0;M END TP_Das_61 C15H20N6O5S 396.12158874 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 1.7455 2.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 8 12 1 0; 12 13 1 0; 13 14 1 0; 4 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 22 24 1 0; 21 25 1 0; 25 26 2 0; 16 27 2 0; 27 2 1 0; 25 18 1 0;M END TP_Das_62 C15H20N6O4S 380.12667412 RDKit 2D;; 26 27 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 9 13 1 0; 4 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 16 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 15 26 2 0; 26 2 1 0; 13 6 1 0;M END TP_Das_63 C22H24ClN7O4S 517.129900928 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 4 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 24 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 2 0; 32 34 1 0; 23 35 2 0; 35 2 1 0; 21 6 1 0; 19 13 1 0;M END TP_Das_64 C22H28ClN7O5S 537.1561156760001 RDKit 2D;; 36 38 0 0 0 0 0 0 0 0999 V2000; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5303 0.5327 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 2 0; 8 10 2 0; 8 11 1 0; 11 12 2 0; 12 13 1 0; 11 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 4 25 2 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 30 34 1 0; 34 35 1 0; 26 36 2 0; 36 2 1 0; 23 17 1 0; 35 27 1 0;M END TP_Das_65 C18H17ClN6O3S 432.07713708400007 RDKit 2D;; 29 31 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.0078 5.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2213 4.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0645 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5917 5.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7484 7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.5349 7.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1646 7.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9511 8.2331 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 4 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 16 28 1 0; 11 29 2 0; 29 2 1 0; 28 13 1 0; 26 20 1 0;M END TP_Das_66 C20H19ClN6O4S 474.087701768 RDKit 2D;; 32 34 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 4 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 24 28 1 0; 28 29 1 0; 29 30 2 0; 29 31 1 0; 23 32 2 0; 32 2 1 0; 21 6 1 0; 19 13 1 0;M END TP_Das_67 C20H22ClN7O2S 459.12442162400004 RDKit 2D;; 31 33 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 4 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 24 28 1 0; 28 29 1 0; 29 30 1 0; 23 31 2 0; 31 2 1 0; 21 6 1 0; 19 13 1 0;M END TP_Das_68 C7H7ClO3 174.008371764 RDKit 2D;; 11 11 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 3 5 1 0; 5 6 1 0; 5 7 2 0; 7 8 1 0; 8 9 1 0; 8 10 2 0; 10 11 1 0; 10 2 1 0;M END TP_Das_69 C22H26ClN7O4S 519.145550992 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 4 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 24 31 1 0; 31 32 1 0; 32 33 2 0; 32 34 1 0; 23 35 2 0; 35 2 1 0; 21 6 1 0; 19 13 1 0;M END TP_Das_70 C22H24ClN7O4S 517.129900928 RDKit 2D;; 35 38 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.4182 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 21 22 2 0; 4 23 2 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 30 32 1 0; 28 33 1 0; 33 34 1 0; 24 35 2 0; 35 2 1 0; 21 6 1 0; 34 25 1 0; 19 13 1 0;M END TP_Das_71 C20H22ClN7O3S 475.119336244 RDKit 2D;; 32 34 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 4 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 24 28 1 0; 28 29 1 0; 29 30 2 0; 29 31 1 0; 23 32 2 0; 32 2 1 0; 21 6 1 0; 19 13 1 0;M END TP_Das_72 ['61487-25-0'] C7H8ClNO 157.029441556 RDKit 2D;; 10 10 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 3 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 8 2 1 0;M END TP_Das_73 C20H24ClN7O2S 461.140071688 RDKit 2D;; 31 33 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.0078 5.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2213 4.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0645 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5917 5.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7484 7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.5349 7.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1646 7.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9511 8.2331 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 4 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 18 30 1 0; 13 31 2 0; 31 2 1 0; 30 15 1 0; 28 22 1 0;M END TP_Das_74 C14H20N6OS 320.14193026 RDKit 2D;; 22 24 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 4 11 2 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 16 20 1 0; 20 21 1 0; 12 22 2 0; 22 2 1 0; 10 6 1 0; 21 13 1 0;M END TP_Das_75 C13H16N6O3S 336.10045937200005 RDKit 2D;; 23 25 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -3.4182 0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 9 13 1 0; 13 14 2 0; 4 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 16 23 2 0; 23 2 1 0; 13 6 1 0; 22 17 1 0;M END TP_Das_76 C22H26ClN7O5S 535.1404656120001 RDKit 2D;; 36 38 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3601 5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4240 6.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5808 7.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.6375 5.2496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.0078 5.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2213 4.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0645 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5917 5.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7484 7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.5349 7.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1646 7.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9511 8.2331 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.7418 4.0539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 1.7455 2.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 8 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 4 16 2 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 22 34 1 0; 34 35 2 0; 17 36 2 0; 36 2 1 0; 34 19 1 0; 32 26 1 0;M END TP_Das_77 C14H20N6O2S 336.13684488 RDKit 2D;; 23 24 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 4 11 2 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 13 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 12 23 2 0; 23 2 1 0; 10 6 1 0;M END TP_Das_78 C13H16N6O2S 320.105544752 RDKit 2D;; 22 24 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 9 13 1 0; 4 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 15 22 2 0; 22 2 1 0; 13 6 1 0; 21 16 1 0;M END TP_Das_79 C22H24ClN7O2S 485.14007168800003 RDKit 2D;; 33 36 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -3.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5218 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8921 -1.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3650 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.5785 1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4217 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0514 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6353 3.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0056 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.1624 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9488 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.1056 -0.6948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 9 21 1 0; 4 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 27 31 1 0; 31 32 1 0; 23 33 2 0; 33 2 1 0; 21 6 1 0; 32 24 1 0; 19 13 1 0;M END Reg ['2126178-55-8', '1255386-16-3', '755037-03-7', '835621-08-4'] C21H15ClF4N4O3 482.07688090000005 RDKit 2D;; 33 35 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 3.8971 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 22 27 2 0; 12 28 1 0; 28 29 1 0; 28 30 2 0; 7 31 2 0; 31 32 1 0; 32 33 2 0; 33 5 1 0; 30 9 1 0; 27 17 1 0;M END TP_Reg_1 C7H4ClF3O2 211.985191708 RDKit 2D;; 13 13 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.2010 3.3481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -2.7990 1.8481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 8 11 1 0; 7 12 2 0; 12 13 1 0; 12 2 1 0;M END TP_Reg_2 ['22364-56-3', '1026405-88-8', '14914-35-3', '13780-28-4', '13587-49-0', '13550-49-7', '84796-14-5', '34819-78-8', '13767-16-3', '14390-96-6', '14798-03-9', '15194-15-7', '14158-23-7', '6684-80-6', '7664-41-7'] H3N 17.026549096 RDKit 2D;; 1 0 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0;M END TP_Reg_3 ['1449-71-4', '20032-14-8', '106448-86-6', '14779-55-6', '5581-55-5', '17000-00-9', '2614-35-9', '74-89-5'] CH5N 31.042199159999996 RDKit 2D;; 2 1 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0;M END TP_Reg_4 ['1257864-28-0', '757251-39-1'] C13H12FN3O2 261.091354844 RDKit 2D;; 19 20 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 1 0; 14 16 2 0; 7 17 2 0; 17 18 1 0; 18 19 2 0; 19 5 1 0; 16 9 1 0;M END TP_Reg_5 C8H5ClF3NO2 238.99609074 RDKit 2D;; 15 15 0 0 0 0 0 0 0 0999 V2000; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.2010 3.3481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -2.7990 1.8481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 11 14 1 0; 10 15 2 0; 15 5 1 0;M END TP_Reg_6 ['63101-50-8', '35907-63-2', '4906-87-0', '3228-27-1', '89277-65-6', '3046-49-9', '24286-05-3', '1664-98-8', '32008-59-6', '50-00-0', '30525-89-4'] CH2O 30.010564684 RDKit 2D;; 2 1 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0;M END TP_Reg_7 C12H9FN2O5 280.049549608 RDKit 2D;; 20 21 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 9 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 2 0; 16 17 1 0; 5 18 1 0; 18 19 2 0; 19 20 1 0; 19 2 1 0; 16 7 1 0;M END TP_Reg_8 ['320-51-4'] C7H5ClF3N 195.0062615 RDKit 2D;; 12 12 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.2010 3.3481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -2.7990 1.8481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 8 11 1 0; 7 12 2 0; 12 2 1 0;M END TP_Reg_9 C12H9FN2O5 280.049549608 RDKit 2D;; 20 21 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 3 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 12 16 2 0; 6 17 1 0; 17 18 1 0; 17 19 2 0; 19 20 1 0; 19 2 1 0; 16 8 1 0;M END TP_Reg_10 ['1187945-05-6'] C20H12ClF4N3O4 469.04524642399997 RDKit 2D;; 32 34 0 0 0 0 0 0 0 0999 V2000; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -10.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 10 12 1 0; 10 13 1 0; 9 14 2 0; 2 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 25 29 2 0; 19 30 1 0; 30 31 2 0; 31 32 1 0; 14 4 1 0; 31 16 1 0; 29 21 1 0;M END TP_Reg_11 ['1343498-72-5'] C20H13ClF4N4O3 468.06123083600005 RDKit 2D;; 32 34 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 3.8971 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 -0.2010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 2.7990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 22 25 1 0; 21 26 2 0; 11 27 1 0; 27 28 1 0; 27 29 2 0; 6 30 2 0; 30 31 1 0; 31 32 2 0; 32 4 1 0; 29 8 1 0; 26 16 1 0;M END TP_Reg_12 C7H4ClF3O2 211.985191708 RDKit 2D;; 13 13 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 4 6 2 0; 6 7 1 0; 7 8 1 0; 7 9 1 0; 7 10 1 0; 6 11 1 0; 11 12 2 0; 12 13 1 0; 12 2 1 0;M END TP_Reg_13 ['757251-54-0'] C12H10FN3O2 247.07570478 RDKit 2D;; 18 19 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 13 15 2 0; 6 16 2 0; 16 17 1 0; 17 18 2 0; 18 4 1 0; 15 8 1 0;M END TP_Reg_14 C12H9FN2O3 248.059720368 RDKit 2D;; 18 19 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 11 15 2 0; 5 16 1 0; 16 17 2 0; 17 18 1 0; 17 2 1 0; 15 7 1 0;M END Met ['657-24-9'] C4H11N5 129.10144535199998 RDKit 2D;; 9 8 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 5.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 5.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 2 3; 7 8 1 0; 7 9 1 0;M END TP_Met_1 ['1609-00-3'] C3H9N5 115.08579528799999 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 2 3; 6 7 1 0; 6 8 1 0;M END TP_Met_2 ['56-03-1', '4911-98-2'] C2H7N5 101.07014522399999 RDKit 2D;; 7 6 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 2 3; 5 6 1 0; 5 7 1 0;M END TP_Met_3 ['63101-50-8', '35907-63-2', '4906-87-0', '3228-27-1', '89277-65-6', '3046-49-9', '24286-05-3', '1664-98-8', '32008-59-6', '50-00-0', '30525-89-4'] CH2O 30.010564684 RDKit 2D;; 2 1 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0;M END Mom ['2231764-75-1', '83919-23-7'] C27H30Cl2O6 520.1419440399999 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7167 -7.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8314 -6.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2213 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7296 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 23 32 1 0; 32 33 2 0; 32 34 1 0; 34 35 1 0; 23 2 1 0; 31 27 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_1 C27H33ClO9 536.1813103159998 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5745 -4.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.6312 -7.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0015 -6.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2151 -7.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.0583 -8.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.5854 -6.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 31 33 1 0; 23 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 23 2 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_2 ['105102-22-5'] C22H28Cl2O4 426.13646473599994 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4998 -5.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8980 -6.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 1 0; 23 2 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_3 C27H31ClO9 534.1656602519998 RDKit 2D;; 37 41 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4064 6.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8957 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1855 8.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5466 8.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.8754 9.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 31 33 1 0; 24 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 24 2 1 0; 33 28 1 0; 22 4 1 0; 17 5 1 0; 15 8 1 0;M END TP_Mom_4 C27H29ClO8 516.1550955679999 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4064 6.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8957 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1855 8.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.8754 9.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 24 33 1 0; 33 34 2 0; 33 35 1 0; 35 36 2 0; 24 2 1 0; 32 28 1 0; 22 4 1 0; 17 5 1 0; 15 8 1 0;M END TP_Mom_5 C27H29ClO8 516.1550955679999 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7167 -7.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8314 -6.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2213 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.9713 -3.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.7296 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 23 33 1 0; 33 34 2 0; 33 35 1 0; 35 36 2 0; 23 2 1 0; 32 27 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_6 C27H29ClO8 516.1550955679999 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -0.8922 -9.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3343 -7.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4346 -6.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2980 -5.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5412 -1.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9308 -1.9274 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.9832 -2.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.0828 -3.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4791 -2.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.9707 -4.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7314 -5.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1904 -6.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7538 -7.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2431 -7.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.1428 -8.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9045 -9.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.6321 -8.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.6523 -9.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0134 -8.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.8343 -7.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.3626 -6.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0876 -8.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9880 -9.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5210 -9.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8547 -10.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 24 33 1 0; 33 34 2 0; 33 35 1 0; 35 36 1 0; 24 2 1 0; 32 28 1 0; 22 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_7 C27H30Cl2O8 552.13177328 RDKit 2D;; 37 41 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4064 6.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8957 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1855 8.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.8754 9.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 25 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 25 2 1 0; 33 29 1 0; 23 4 1 0; 18 5 1 0; 16 8 1 0;M END TP_Mom_8 ['148596-90-1', '148596-90-1', '148596-90-1'] C27H31ClO7 502.1758310119999 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7167 -7.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8314 -6.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2213 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7296 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 23 32 1 0; 32 33 2 0; 32 34 1 0; 34 35 1 0; 23 2 1 0; 31 27 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_9 C27H30Cl2O7 536.1368586599999 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4064 6.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8957 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1855 8.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.8754 9.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 24 33 1 0; 33 34 2 0; 33 35 1 0; 35 36 1 0; 24 2 1 0; 32 28 1 0; 22 4 1 0; 17 5 1 0; 15 8 1 0;M END TP_Mom_10 C27H29ClO8 516.1550955679999 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4064 6.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8957 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1855 8.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.8754 9.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 24 33 1 0; 33 34 2 0; 33 35 1 0; 35 36 1 0; 24 2 1 0; 32 28 1 0; 22 4 1 0; 17 5 1 0; 15 8 1 0;M END TP_Mom_11 C22H27ClO5 406.15470164399994 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4998 -5.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8980 -6.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 1 0; 23 2 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_12 C27H28Cl2O8 550.1161232159999 RDKit 2D;; 37 41 0 0 0 0 0 0 0 0999 V2000; -0.8922 -9.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3343 -7.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4346 -6.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2980 -5.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5412 -1.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9308 -1.9274 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.9832 -2.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.0828 -3.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4791 -2.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.9707 -4.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7314 -5.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1904 -6.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7538 -7.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2431 -7.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.1428 -8.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9045 -9.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.6321 -8.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.6523 -9.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0134 -8.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.8343 -7.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.9339 -6.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.3626 -6.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0876 -8.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9880 -9.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5210 -9.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8547 -10.6023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 31 33 1 0; 24 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 24 2 1 0; 33 28 1 0; 22 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_13 C27H33ClO9 536.1813103159999 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 4.4231 -5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7580 -0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.0586 0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3191 -1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3984 -2.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7286 -1.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2388 -1.4819 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8399 -2.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.1736 -5.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -5.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5402 -5.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.6970 -7.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3251 -7.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.5166 -8.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5166 -9.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9431 -10.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8248 -9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9431 -7.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -6.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0037 -6.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -7.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -8.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 8 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 15 17 1 0; 11 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 25 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 25 2 1 0; 33 29 1 0; 23 4 1 0; 18 5 1 0;M END TP_Mom_14 C27H27ClO7 498.1445308839999 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7167 -7.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8314 -6.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2213 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7296 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 23 32 1 0; 32 33 2 0; 32 34 1 0; 34 35 2 0; 23 2 1 0; 31 27 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_15 C22H27ClO5 406.15470164399994 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4998 -5.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8980 -6.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 23 2 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_16 ['40073-83-4', '88-14-2', '26447-28-9'] C5H4O3 112.016043988 RDKit 2D;; 8 8 0 0 0 0 0 0 0 0999 V2000; 3.5260 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.5260 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 4 1 0;M END TP_Mom_17 C22H26Cl2O5 440.1157292919999 RDKit 2D;; 29 32 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1790 6.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3416 7.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 1 0; 24 2 1 0; 22 4 1 0; 17 5 1 0; 15 8 1 0;M END TP_Mom_18 C27H33ClO9 536.1813103159999 RDKit 2D;; 37 41 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4064 6.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8957 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1855 8.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.8754 9.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 25 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 25 2 1 0; 33 29 1 0; 23 4 1 0; 18 5 1 0; 16 8 1 0;M END TP_Mom_19 C27H30Cl2O8 552.13177328 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; -1.8478 -9.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0046 -7.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8899 -6.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2388 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5921 -3.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7580 -1.7812 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.9918 -5.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4836 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9918 -3.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2908 -3.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.5899 -3.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2908 -1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.3037 -6.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.7302 -6.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.8450 -7.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.8728 -8.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.2715 -6.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.4851 -7.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.6986 -6.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2351 -5.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7351 -5.4702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.9138 -8.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0321 -9.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.4055 -8.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0156 -9.7176 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 4 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 2 0; 22 24 1 0; 19 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 25 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 25 2 1 0; 33 29 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_20 C27H28Cl2O6 518.1262939759999 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7167 -7.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8314 -6.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2213 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7296 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 23 32 1 0; 32 33 2 0; 32 34 1 0; 34 35 1 0; 23 2 1 0; 31 27 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_21 C27H32Cl2O8 554.1474233439999 RDKit 2D;; 37 41 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4064 6.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8957 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1855 8.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.8754 9.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 25 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 25 2 1 0; 33 29 1 0; 23 4 1 0; 18 5 1 0; 16 8 1 0;M END TP_Mom_22 C27H30Cl2O8 552.13177328 RDKit 2D;; 37 41 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4064 6.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8957 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1855 8.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5466 8.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.8754 9.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 31 33 1 0; 24 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 24 2 1 0; 33 28 1 0; 22 4 1 0; 17 5 1 0; 15 8 1 0;M END TP_Mom_23 C27H30Cl2O8 552.13177328 RDKit 2D;; 37 41 0 0 0 0 0 0 0 0999 V2000; -0.8922 -9.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3343 -7.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4346 -6.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2980 -5.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5412 -1.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9308 -1.9274 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.9832 -2.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.0828 -3.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4791 -2.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.9707 -4.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7314 -5.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1904 -6.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7538 -7.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2431 -7.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.1428 -8.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9045 -9.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.6321 -8.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.6523 -9.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0134 -8.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.8343 -7.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.3626 -6.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0876 -8.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9880 -9.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5210 -9.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8547 -10.6023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 25 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 25 2 1 0; 33 29 1 0; 23 4 1 0; 17 5 1 0; 15 8 1 0;M END TP_Mom_24 C27H32Cl2O9 570.1423379639998 RDKit 2D;; 38 42 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4064 6.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8957 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1855 8.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5466 8.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.8754 9.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 32 34 1 0; 25 35 1 0; 35 36 2 0; 35 37 1 0; 37 38 1 0; 25 2 1 0; 34 29 1 0; 23 4 1 0; 18 5 1 0; 16 8 1 0;M END TP_Mom_25 C27H29ClO7 500.1601809479999 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7167 -7.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8314 -6.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2213 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7296 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 23 32 1 0; 32 33 2 0; 32 34 1 0; 34 35 2 0; 23 2 1 0; 31 27 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_26 C22H28Cl2O5 442.1313793559999 RDKit 2D;; 29 32 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1790 6.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3416 7.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 1 0; 24 2 1 0; 22 4 1 0; 17 5 1 0; 15 8 1 0;M END TP_Mom_27 ['1263143-48-1', '4647-20-5', '4419-39-0'] C22H29ClO5 408.17035170799994 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4998 -5.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8980 -6.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 1 0; 23 2 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_28 C27H30Cl2O8 552.13177328 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 4.4231 -5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7580 -0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.0586 0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3191 -1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3984 -2.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7286 -1.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2388 -1.4819 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8399 -2.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.1736 -5.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -5.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5402 -5.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.6970 -7.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3251 -7.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.5166 -8.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5166 -9.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9431 -10.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8248 -9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9431 -7.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -6.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0037 -6.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -7.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -8.9089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 8 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 15 17 1 0; 11 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 25 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 25 2 1 0; 33 29 1 0; 23 4 1 0; 18 5 1 0;M END TP_Mom_29 C27H32Cl2O8 554.1474233439999 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 4.4231 -5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7580 -0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.0586 0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3191 -1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3984 -2.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7286 -1.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2388 -1.4819 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8399 -2.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.1736 -5.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -5.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5402 -5.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.6970 -7.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3251 -7.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.5166 -8.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5166 -9.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9431 -10.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8248 -9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9431 -7.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -6.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0037 -6.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -7.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -8.9089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 8 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 15 17 1 0; 11 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 25 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 25 2 1 0; 33 29 1 0; 23 4 1 0; 18 5 1 0;M END TP_Mom_30 ['6142-90-1', '110-00-9'] C4H4O 68.026214748 RDKit 2D;; 5 5 0 0 0 0 0 0 0 0999 V2000; 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 1 2 0;M END TP_Mom_31 ['1173021-86-7', '108395-15-9', '64-15-3', '328-50-7', '17091-15-5', '378-50-7', '997-43-3', '34410-46-3'] C5H6O5 146.021523292 RDKit 2D;; 10 9 0 0 0 0 0 0 0 0999 V2000; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 2 0; 8 10 1 0;M END TP_Mom_32 C27H32Cl2O8 554.1474233439999 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5745 -4.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.6312 -7.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0015 -6.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2151 -7.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.0583 -8.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.5854 -6.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 31 33 1 0; 23 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 23 2 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_33 C27H28Cl2O7 534.1212085959999 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7167 -7.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8314 -6.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2213 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.9713 -3.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.7296 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 23 33 1 0; 33 34 2 0; 33 35 1 0; 35 36 1 0; 23 2 1 0; 32 27 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_34 C22H30Cl2O6 460.14194403999994 RDKit 2D;; 30 32 0 0 0 0 0 0 0 0999 V2000; 4.4231 -5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7580 -0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.0586 0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3191 -1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3984 -2.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7286 -1.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2388 -1.4819 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8399 -2.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0226 -5.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -5.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6567 -6.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -6.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0037 -6.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -7.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -8.9089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 8 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 15 17 1 0; 11 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 1 0; 25 2 1 0; 23 4 1 0; 18 5 1 0;M END TP_Mom_35 C27H34Cl2O9 572.1579880279999 RDKit 2D;; 38 41 0 0 0 0 0 0 0 0999 V2000; 4.4231 -5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2912 2.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7580 -0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6074 1.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.0586 0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2077 1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9472 2.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.6172 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2388 -1.4819 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.1736 -5.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -5.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5402 -5.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.6970 -7.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8789 -8.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.5166 -8.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5166 -9.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9431 -10.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8248 -9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9431 -7.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -6.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0037 -6.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -7.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -8.9089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 8 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 11 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 2 0; 28 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 26 35 1 0; 35 36 2 0; 35 37 1 0; 37 38 1 0; 26 2 1 0; 34 30 1 0; 24 4 1 0; 19 5 1 0;M END TP_Mom_36 C27H32Cl2O8 554.1474233439999 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 4.4231 -5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7580 -0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.0586 0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3191 -1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3984 -2.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7286 -1.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2388 -1.4819 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8399 -2.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.1736 -5.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -5.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5402 -5.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.6970 -7.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3251 -7.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.5166 -8.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5166 -9.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9431 -10.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8248 -9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9431 -7.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -6.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0037 -6.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -7.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -8.9089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 8 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 15 17 1 0; 11 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 25 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 25 2 1 0; 33 29 1 0; 23 4 1 0; 18 5 1 0;M END TP_Mom_37 C27H28Cl2O7 534.1212085959999 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -0.8922 -9.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3343 -7.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4346 -6.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2980 -5.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5412 -1.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9308 -1.9274 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.9832 -2.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.0828 -3.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4791 -2.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.9707 -4.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7314 -5.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1904 -6.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7538 -7.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2431 -7.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.1428 -8.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9045 -9.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.6321 -8.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.6523 -9.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0134 -8.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.8343 -7.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.3626 -6.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0876 -8.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9880 -9.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5210 -9.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8547 -10.6023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 24 33 1 0; 33 34 2 0; 33 35 1 0; 35 36 1 0; 24 2 1 0; 32 28 1 0; 22 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_38 C22H26Cl2O4 424.12081467199994 RDKit 2D;; 28 31 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4998 -5.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8980 -6.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 1 0; 23 2 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_39 C27H30Cl2O8 552.13177328 RDKit 2D;; 37 41 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4064 6.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8957 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1855 8.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.8754 9.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 25 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 25 2 1 0; 33 29 1 0; 23 4 1 0; 18 5 1 0; 16 8 1 0;M END TP_Mom_40 C27H31ClO8 518.1707456319998 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7167 -7.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8314 -6.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2213 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.9713 -3.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.7296 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 23 33 1 0; 33 34 2 0; 33 35 1 0; 35 36 1 0; 23 2 1 0; 32 27 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_41 C27H32Cl2O9 570.1423379639998 RDKit 2D;; 38 41 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.2607 6.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.7628 9.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2345 8.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2214 9.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7366 11.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.6931 9.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 2 0; 28 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 2 0; 32 34 1 0; 24 35 1 0; 35 36 2 0; 35 37 1 0; 37 38 1 0; 24 2 1 0; 22 4 1 0; 17 5 1 0; 15 8 1 0;M END TP_Mom_42 C22H30Cl2O6 460.14194403999994 RDKit 2D;; 30 33 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1790 6.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3416 7.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 1 0; 25 2 1 0; 23 4 1 0; 18 5 1 0; 16 8 1 0;M END TP_Mom_43 ['97529-85-6'] C5H4O4 128.010958608 RDKit 2D;; 9 9 0 0 0 0 0 0 0 0999 V2000; 3.5260 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.7760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.5260 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2458 -1.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 4 1 0;M END TP_Mom_44 C27H32Cl2O9 570.1423379639998 RDKit 2D;; 38 41 0 0 0 0 0 0 0 0999 V2000; 4.4231 -5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1240 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9672 -2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7580 -0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.0586 0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3191 -1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3984 -2.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7286 -1.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2388 -1.4819 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8399 -2.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.1736 -5.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -5.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5402 -5.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.6970 -7.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3251 -7.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.5166 -8.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5166 -9.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9431 -10.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.8248 -9.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3248 -9.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.9431 -7.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -6.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0037 -6.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.7537 -7.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5037 -8.9089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 8 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 15 17 1 0; 11 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 32 34 1 0; 25 35 1 0; 35 36 2 0; 35 37 1 0; 37 38 1 0; 25 2 1 0; 34 29 1 0; 23 4 1 0; 18 5 1 0;M END TP_Mom_45 C27H29ClO7 500.1601809479999 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7167 -7.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8314 -6.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2213 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7296 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 23 32 1 0; 32 33 2 0; 32 34 1 0; 34 35 1 0; 23 2 1 0; 31 27 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_46 C27H29ClO8 516.1550955679999 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7167 -7.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8314 -6.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2213 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.7296 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7556 -6.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 23 32 1 0; 32 33 2 0; 32 34 1 0; 34 35 2 0; 34 36 1 0; 23 2 1 0; 31 27 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_47 C27H30Cl2O8 552.13177328 RDKit 2D;; 37 41 0 0 0 0 0 0 0 0999 V2000; 5.2311 -4.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7687 -3.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1792 -2.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6852 -2.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9798 -0.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5463 -1.3368 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.6852 -2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.3515 -3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5242 -4.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -4.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3515 -3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9236 -5.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6391 -4.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7394 -5.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.3289 -7.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7306 -7.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.4292 -8.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8713 -9.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6448 -10.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.5554 -9.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0706 -8.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7387 -5.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1721 -5.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.4049 -7.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5045 -8.2064 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 25 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 25 2 1 0; 33 29 1 0; 23 4 1 0; 17 5 1 0; 15 8 1 0;M END TP_Mom_48 ['22125-63-9', '28755-65-9'] C4H4O2 84.021129368 RDKit 2D;; 6 6 0 0 0 0 0 0 0 0999 V2000; 2.7760 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 2 1 0;M END TP_Mom_49 C27H28Cl2O8 550.1161232159999 RDKit 2D;; 37 41 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4064 6.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8957 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1855 8.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5466 8.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.8754 9.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 31 33 1 0; 24 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 24 2 1 0; 33 28 1 0; 22 4 1 0; 17 5 1 0; 15 8 1 0;M END TP_Mom_50 C22H29ClO6 424.1652663279999 RDKit 2D;; 29 32 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1790 6.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3416 7.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 1 0; 24 2 1 0; 22 4 1 0; 17 5 1 0; 15 8 1 0;M END TP_Mom_51 C27H30Cl2O7 536.1368586599999 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7167 -7.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8314 -6.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2213 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.9713 -3.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.7296 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 23 33 1 0; 33 34 2 0; 33 35 1 0; 35 36 1 0; 23 2 1 0; 32 27 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_52 C27H30Cl2O8 552.13177328 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5745 -4.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.6312 -7.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0015 -6.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.2151 -7.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.0583 -8.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.5854 -6.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 2 0; 31 33 1 0; 23 34 1 0; 34 35 2 0; 34 36 1 0; 36 37 1 0; 23 2 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_53 C27H28Cl2O7 534.1212085959999 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4064 6.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8957 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1855 8.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.8754 9.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 24 33 1 0; 33 34 2 0; 33 35 1 0; 35 36 1 0; 24 2 1 0; 32 28 1 0; 22 4 1 0; 17 5 1 0; 15 8 1 0;M END TP_Mom_54 C22H26Cl2O5 440.1157292919999 RDKit 2D;; 29 32 0 0 0 0 0 0 0 0999 V2000; -0.8922 -9.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3343 -7.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4346 -6.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2980 -5.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5412 -1.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9308 -1.9274 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.9832 -2.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.0828 -3.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4791 -2.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.9707 -4.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7314 -5.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1370 -6.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7538 -7.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2538 -7.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0876 -8.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.9880 -9.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5210 -9.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8547 -10.6023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 1 0; 24 2 1 0; 22 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_55 C27H29ClO8 516.1550955679999 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -2.2500 -9.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6291 -1.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0331 -1.8907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4854 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8338 -6.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1584 -7.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.4177 -6.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.7167 -7.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8314 -6.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.2213 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.9713 -3.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.7296 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 30 32 1 0; 23 33 1 0; 33 34 2 0; 33 35 1 0; 35 36 1 0; 23 2 1 0; 32 27 1 0; 21 4 1 0; 16 5 1 0; 14 8 1 0;M END TP_Mom_56 C27H31ClO8 518.1707456319998 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -0.1324 9.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4662 8.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5207 6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2487 5.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7184 -3.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4362 2.6047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -2.2892 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3094 2.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7313 4.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7110 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.2057 6.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8455 7.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3172 7.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3041 8.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1772 9.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.7759 8.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4064 6.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8957 6.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1855 8.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.8754 9.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2876 8.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2674 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1922 10.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 24 33 1 0; 33 34 2 0; 33 35 1 0; 35 36 1 0; 24 2 1 0; 32 28 1 0; 22 4 1 0; 17 5 1 0; 15 8 1 0;M END Ata ['1332981-16-4', '1292296-11-7', '1292296-10-6', '1092540-50-5', '1132747-14-8', '1092540-51-6', '1092540-52-7', '1092540-56-1', '1292296-09-3', '1332981-14-2', '198904-31-3'] C38H52N6O7 704.3897480040001 RDKit 2D;; 51 53 0 0 0 0 0 0 0 0999 V2000; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 26 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 2 0; 40 42 1 0; 42 43 1 0; 38 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 6 48 1 0; 48 49 1 0; 48 50 1 0; 48 51 1 0; 17 12 1 0; 34 23 1 0; 32 27 1 0;M END TP_Ata_1 C38H48N6O8 716.3533624960002 RDKit 2D;; 52 54 0 0 0 0 0 0 0 0999 V2000; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 26 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 2 0; 40 42 1 0; 42 43 1 0; 38 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 47 48 2 0; 6 49 1 0; 49 50 1 0; 49 51 1 0; 49 52 1 0; 17 12 1 0; 34 23 1 0; 32 27 1 0;M END TP_Ata_2 C30H37N5O4 531.2845546640001 RDKit 2D;; 39 41 0 0 0 0 0 0 0 0999 V2000; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 27 34 1 0; 34 35 2 0; 6 36 1 0; 36 37 1 0; 36 38 1 0; 36 39 1 0; 17 12 1 0; 35 24 1 0; 33 28 1 0;M END TP_Ata_3 ['22364-56-3', '1026405-88-8', '14914-35-3', '13780-28-4', '13587-49-0', '13550-49-7', '84796-14-5', '34819-78-8', '13767-16-3', '14390-96-6', '14798-03-9', '15194-15-7', '14158-23-7', '6684-80-6', '7664-41-7'] H3N 17.026549096 RDKit 2D;; 1 0 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0;M END TP_Ata_4 ['1246817-28-6', '198904-87-9'] C22H26N4O 362.210661452 RDKit 2D;; 27 29 0 0 0 0 0 0 0 0999 V2000; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 2 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 19 26 1 0; 26 27 2 0; 9 4 1 0; 27 16 1 0; 25 20 1 0;M END TP_Ata_5 ['5770-06-9', '28563-35-1', '5770-05-8', '4206-31-9', '32479-98-4', '14742-26-8', '6853-31-2', '3046-50-2', '1849-29-2', '1455-13-6', '811-98-3', '67-56-1', '170082-17-4'] CH4O 32.026214748 RDKit 2D;; 2 1 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0;M END TP_Ata_6 C28H34N4O3 474.263090948 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 2 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 15 22 1 0; 22 23 2 0; 10 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 23 12 1 0; 35 30 1 0; 21 16 1 0;M END TP_Ata_7 C30H37N5O5 547.279469284 RDKit 2D;; 40 42 0 0 0 0 0 0 0 0999 V2000; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 27 34 1 0; 34 35 2 0; 6 36 1 0; 36 37 1 0; 36 38 1 0; 36 39 1 0; 39 40 1 0; 17 12 1 0; 35 24 1 0; 33 28 1 0;M END TP_Ata_8 C36H48N6O6 660.3635332560001 RDKit 2D;; 48 50 0 0 0 0 0 0 0 0999 V2000; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -11.6913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -11.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -8.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 26 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 38 40 1 0; 40 41 1 0; 40 42 1 0; 40 43 1 0; 6 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 47 48 1 0; 17 12 1 0; 34 23 1 0; 32 27 1 0;M END TP_Ata_9 C36H48N6O6 660.3635332560001 RDKit 2D;; 48 50 0 0 0 0 0 0 0 0999 V2000; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -11.6913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -8.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -11.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 26 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 38 40 1 0; 40 41 1 0; 40 42 1 0; 40 43 1 0; 43 44 1 0; 6 45 1 0; 45 46 1 0; 45 47 1 0; 45 48 1 0; 17 12 1 0; 34 23 1 0; 32 27 1 0;M END TP_Ata_10 C30H34N4O5 530.2529201880001 RDKit 2D;; 39 41 0 0 0 0 0 0 0 0999 V2000; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -9.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -11.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 10 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 27 34 1 0; 34 35 2 0; 6 36 1 0; 36 37 1 0; 36 38 1 0; 36 39 1 0; 22 17 1 0; 35 24 1 0; 33 28 1 0;M END TP_Ata_11 C28H37N5O2 475.2947254240001 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 27 34 1 0; 34 35 2 0; 17 12 1 0; 35 24 1 0; 33 28 1 0;M END TP_Ata_12 C36H45N5O6 643.33698416 RDKit 2D;; 47 49 0 0 0 0 0 0 0 0999 V2000; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -11.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -8.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 26 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 2 0; 38 40 1 0; 40 41 1 0; 40 42 1 0; 40 43 1 0; 6 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 17 12 1 0; 34 23 1 0; 32 27 1 0;M END TP_Ata_13 C8H13NO5 203.079372516 RDKit 2D;; 14 13 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7452 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2452 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 6 10 1 0; 10 11 1 0; 10 12 1 0; 10 13 1 0; 13 14 2 0;M END TP_Ata_14 ['1192224-26-2'] C36H50N6O5 646.3842687000001 RDKit 2D;; 47 49 0 0 0 0 0 0 0 0999 V2000; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -10.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -7.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 15 22 1 0; 22 23 2 0; 10 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 27 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 38 40 1 0; 40 41 1 0; 40 42 1 0; 40 43 1 0; 6 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 23 12 1 0; 34 29 1 0; 21 16 1 0;M END TP_Ata_15 C38H48N6O8 716.3533624959999 RDKit 2D;; 52 54 0 0 0 0 0 0 0 0999 V2000; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -7.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -8.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 14 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 1 0; 25 31 1 0; 31 32 1 0; 31 33 1 0; 31 34 1 0; 34 35 2 0; 10 36 1 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 2 0; 40 41 1 0; 41 42 2 0; 42 43 1 0; 43 44 2 0; 44 45 1 0; 45 46 2 0; 40 47 1 0; 47 48 2 0; 6 49 1 0; 49 50 1 0; 49 51 1 0; 49 52 1 0; 21 16 1 0; 48 37 1 0; 46 41 1 0;M END TP_Ata_16 C22H24N4O 360.195011388 RDKit 2D;; 27 29 0 0 0 0 0 0 0 0999 V2000; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 2 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 19 26 1 0; 26 27 2 0; 9 4 1 0; 27 16 1 0; 25 20 1 0;M END TP_Ata_17 C36H48N6O5 644.3686186360001 RDKit 2D;; 47 49 0 0 0 0 0 0 0 0999 V2000; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -11.6913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -11.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -8.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 26 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 38 40 1 0; 40 41 1 0; 40 42 1 0; 40 43 1 0; 6 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 17 12 1 0; 34 23 1 0; 32 27 1 0;M END TP_Ata_18 C36H48N6O5 644.3686186360001 RDKit 2D;; 47 49 0 0 0 0 0 0 0 0999 V2000; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -9.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -11.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 14 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 1 0; 27 29 1 0; 27 30 1 0; 10 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 40 41 2 0; 35 42 1 0; 42 43 2 0; 6 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 21 16 1 0; 43 32 1 0; 41 36 1 0;M END TP_Ata_19 ['5813-64-9'] C5H13N 87.10479941599999 RDKit 2D;; 6 5 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 3.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 1 0;M END TP_Ata_20 ['63101-50-8', '35907-63-2', '4906-87-0', '3228-27-1', '89277-65-6', '3046-49-9', '24286-05-3', '1664-98-8', '32008-59-6', '50-00-0', '30525-89-4'] CH2O 30.010564684 RDKit 2D;; 2 1 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0;M END TP_Ata_21 C28H34N4O3 474.26309094799996 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 15 22 1 0; 22 23 2 0; 10 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 23 12 1 0; 35 30 1 0; 21 16 1 0;M END TP_Ata_22 C7H15NO2 145.11027872 RDKit 2D;; 10 9 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2452 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7452 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 7 9 1 0; 7 10 1 0;M END TP_Ata_23 C38H50N6O8 718.36901256 RDKit 2D;; 52 54 0 0 0 0 0 0 0 0999 V2000; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -7.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -8.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 14 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 1 0; 25 31 1 0; 31 32 1 0; 31 33 1 0; 31 34 1 0; 34 35 1 0; 10 36 1 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 2 0; 40 41 1 0; 41 42 2 0; 42 43 1 0; 43 44 2 0; 44 45 1 0; 45 46 2 0; 40 47 1 0; 47 48 2 0; 6 49 1 0; 49 50 1 0; 49 51 1 0; 49 52 1 0; 21 16 1 0; 48 37 1 0; 46 41 1 0;M END TP_Ata_24 C28H35N5O2 473.27907536000004 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; 7.2990 -9.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -11.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 10 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 27 34 1 0; 34 35 2 0; 22 17 1 0; 35 24 1 0; 33 28 1 0;M END TP_Ata_25 C34H46N6O3 586.3631393320001 RDKit 2D;; 43 45 0 0 0 0 0 0 0 0999 V2000; 3.0000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 26 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 38 40 1 0; 40 41 1 0; 40 42 1 0; 40 43 1 0; 17 12 1 0; 34 23 1 0; 32 27 1 0;M END TP_Ata_26 C38H50N6O7 702.3740979400002 RDKit 2D;; 51 53 0 0 0 0 0 0 0 0999 V2000; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 26 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 2 0; 40 42 1 0; 42 43 1 0; 38 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 6 48 1 0; 48 49 1 0; 48 50 1 0; 48 51 1 0; 17 12 1 0; 34 23 1 0; 32 27 1 0;M END TP_Ata_27 C36H48N6O6 660.363533256 RDKit 2D;; 48 50 0 0 0 0 0 0 0 0999 V2000; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -7.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -8.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 14 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 1 0; 27 29 1 0; 27 30 1 0; 30 31 1 0; 10 32 1 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 2 0; 40 41 1 0; 41 42 2 0; 36 43 1 0; 43 44 2 0; 6 45 1 0; 45 46 1 0; 45 47 1 0; 45 48 1 0; 21 16 1 0; 44 33 1 0; 42 37 1 0;M END TP_Ata_28 C36H48N6O6 660.3635332560001 RDKit 2D;; 48 50 0 0 0 0 0 0 0 0999 V2000; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -11.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -9.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 14 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 1 0; 27 29 1 0; 27 30 1 0; 10 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 40 41 2 0; 35 42 1 0; 42 43 2 0; 6 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 47 48 1 0; 21 16 1 0; 43 32 1 0; 41 36 1 0;M END TP_Ata_29 C28H37N5O2 475.29472542400003 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 15 22 1 0; 22 23 2 0; 10 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 23 12 1 0; 35 30 1 0; 21 16 1 0;M END TP_Ata_30 C34H45N5O4 587.3471549200001 RDKit 2D;; 43 45 0 0 0 0 0 0 0 0999 V2000; 3.0000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 2 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 26 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 38 40 1 0; 40 41 1 0; 40 42 1 0; 40 43 1 0; 17 12 1 0; 34 23 1 0; 32 27 1 0;M END TP_Ata_31 C28H34N4O3 474.26309094800007 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 2 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 27 34 1 0; 34 35 2 0; 17 12 1 0; 35 24 1 0; 33 28 1 0;M END TP_Ata_32 C38H50N6O8 718.3690125600002 RDKit 2D;; 52 54 0 0 0 0 0 0 0 0999 V2000; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 26 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 39 40 1 0; 40 41 2 0; 40 42 1 0; 42 43 1 0; 38 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 47 48 1 0; 6 49 1 0; 49 50 1 0; 49 51 1 0; 49 52 1 0; 17 12 1 0; 34 23 1 0; 32 27 1 0;M END TP_Ata_33 C36H45N5O6 643.33698416 RDKit 2D;; 47 49 0 0 0 0 0 0 0 0999 V2000; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -9.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -11.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 14 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 2 0; 25 27 1 0; 27 28 1 0; 27 29 1 0; 27 30 1 0; 10 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 40 41 2 0; 35 42 1 0; 42 43 2 0; 6 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 21 16 1 0; 43 32 1 0; 41 36 1 0;M END TP_Ata_34 C34H48N6O3 588.378789396 RDKit 2D;; 43 45 0 0 0 0 0 0 0 0999 V2000; 3.0000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 26 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 38 40 1 0; 40 41 1 0; 40 42 1 0; 40 43 1 0; 17 12 1 0; 34 23 1 0; 32 27 1 0;M END TP_Ata_35 C30H37N5O4 531.284554664 RDKit 2D;; 39 41 0 0 0 0 0 0 0 0999 V2000; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -9.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -11.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 10 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 27 34 1 0; 34 35 2 0; 6 36 1 0; 36 37 1 0; 36 38 1 0; 36 39 1 0; 22 17 1 0; 35 24 1 0; 33 28 1 0;M END TP_Ata_36 ['26782-71-8', '33105-81-6', '20859-02-3', '471-50-1'] C6H13NO2 131.094628656 RDKit 2D;; 9 8 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.9510 2.0490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 2 0; 7 9 1 0;M END TP_Ata_37 C7H15NO3 161.10519334 RDKit 2D;; 11 10 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7452 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2452 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 7 9 1 0; 7 10 1 0; 10 11 1 0;M END TP_Ata_38 ['815-17-8'] C6H10O3 130.06299418 RDKit 2D;; 9 8 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.9510 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 2 0; 5 7 1 0; 7 8 2 0; 7 9 1 0;M END TP_Ata_39 C22H23N3O2 361.179026976 RDKit 2D;; 27 29 0 0 0 0 0 0 0 0999 V2000; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 7 14 1 0; 14 15 2 0; 2 16 1 0; 16 17 1 0; 17 18 1 0; 17 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 15 4 1 0; 27 22 1 0; 13 8 1 0;M END TP_Ata_40 C30H39N5O4 533.300204728 RDKit 2D;; 39 41 0 0 0 0 0 0 0 0999 V2000; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 15 22 1 0; 22 23 2 0; 10 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 6 36 1 0; 36 37 1 0; 36 38 1 0; 36 39 1 0; 23 12 1 0; 35 30 1 0; 21 16 1 0;M END TP_Ata_41 ['470-28-0'] C6H13NO3 147.089543276 RDKit 2D;; 10 9 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 -1.8481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.5490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.2990 -1.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 2 6 1 0; 6 7 1 0; 6 8 1 0; 8 9 2 0; 8 10 1 0;M END TP_Ata_42 C30H37N5O5 547.279469284 RDKit 2D;; 40 42 0 0 0 0 0 0 0 0999 V2000; 9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7010 -11.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2990 -9.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 10 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 27 34 1 0; 34 35 2 0; 6 36 1 0; 36 37 1 0; 36 38 1 0; 36 39 1 0; 39 40 1 0; 22 17 1 0; 35 24 1 0; 33 28 1 0;M END TP_Ata_43 C36H47N5O6 645.352634224 RDKit 2D;; 47 49 0 0 0 0 0 0 0 0999 V2000; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -11.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -8.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 26 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 2 0; 38 40 1 0; 40 41 1 0; 40 42 1 0; 40 43 1 0; 6 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 17 12 1 0; 34 23 1 0; 32 27 1 0;M END TP_Ata_44 C8H15NO5 205.09502258 RDKit 2D;; 14 13 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7452 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2452 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 6 10 1 0; 10 11 1 0; 10 12 1 0; 10 13 1 0; 13 14 1 0;M END TP_Ata_45 ['7456-87-3'] C2H4O3 76.016043988 RDKit 2D;; 5 4 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0;M END TP_Ata_46 C28H35N5O2 473.2790753600001 RDKit 2D;; 35 37 0 0 0 0 0 0 0 0999 V2000; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 27 34 1 0; 34 35 2 0; 17 12 1 0; 35 24 1 0; 33 28 1 0;M END TP_Ata_47 ['1028634-76-5'] C36H50N6O5 646.3842687000001 RDKit 2D;; 47 49 0 0 0 0 0 0 0 0999 V2000; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -11.6913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -11.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -8.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 26 33 1 0; 33 34 2 0; 21 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 38 40 1 0; 40 41 1 0; 40 42 1 0; 40 43 1 0; 6 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 17 12 1 0; 34 23 1 0; 32 27 1 0;M END TP_Ata_48 ['62965-57-5', '319930-78-4', '113582-42-6'] C6H14N2O 130.110613068 RDKit 2D;; 9 8 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.9510 2.0490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 4.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 7 9 2 0;M END TP_Ata_49 C36H47N5O6 645.352634224 RDKit 2D;; 47 49 0 0 0 0 0 0 0 0999 V2000; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -10.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -7.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 15 22 1 0; 22 23 2 0; 10 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 27 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 2 0; 38 40 1 0; 40 41 1 0; 40 42 1 0; 40 43 1 0; 6 44 1 0; 44 45 1 0; 44 46 1 0; 44 47 1 0; 23 12 1 0; 34 29 1 0; 21 16 1 0;M END TP_Ata_50 ['1191091-65-2', '162537-11-3', '302555-22-2'] C8H15NO4 189.10010796 RDKit 2D;; 13 12 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.2452 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7452 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 6 10 1 0; 10 11 1 0; 10 12 1 0; 10 13 1 0;M END TP_Ata_51 C34H45N5O4 587.34715492 RDKit 2D;; 43 45 0 0 0 0 0 0 0 0999 V2000; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -10.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -7.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 2 5 1 0; 5 6 2 0; 5 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 15 22 1 0; 22 23 2 0; 10 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 2 0; 27 35 1 0; 35 36 1 0; 36 37 2 0; 36 38 1 0; 38 39 1 0; 38 40 1 0; 40 41 1 0; 40 42 1 0; 40 43 1 0; 23 12 1 0; 34 29 1 0; 21 16 1 0;M END TP_Ata_52 C30H36N4O5 532.268570252 RDKit 2D;; 39 41 0 0 0 0 0 0 0 0999 V2000; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 15 22 1 0; 22 23 2 0; 10 24 1 0; 24 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 6 36 1 0; 36 37 1 0; 36 38 1 0; 36 39 1 0; 23 12 1 0; 35 30 1 0; 21 16 1 0;M END TP_Ata_53 C30H39N5O4 533.300204728 RDKit 2D;; 39 41 0 0 0 0 0 0 0 0999 V2000; -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -16.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -15.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -14.2894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0490 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4510 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 7 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 27 34 1 0; 34 35 2 0; 6 36 1 0; 36 37 1 0; 36 38 1 0; 36 39 1 0; 17 12 1 0; 35 24 1 0; 33 28 1 0;M END Vor ['1132749-48-4', '149647-78-9', '1227736-21-1'] C14H20N2O3 264.1473925 RDKit 2D;; 19 19 0 0 0 0 0 0 0 0999 V2000; 12.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 -6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 2 18 1 0; 18 19 1 0; 17 12 1 0;M END TP_Vor_1 ['22364-56-3', '1026405-88-8', '14914-35-3', '13780-28-4', '13587-49-0', '13550-49-7', '84796-14-5', '34819-78-8', '13767-16-3', '14390-96-6', '14798-03-9', '15194-15-7', '14158-23-7', '6684-80-6', '7664-41-7'] H3N 17.026549096 RDKit 2D;; 1 0 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0;M END TP_Vor_2 C8H15NO5 205.09502258 RDKit 2D;; 14 13 0 0 0 0 0 0 0 0999 V2000; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 9 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 1 0;M END TP_Vor_3 C8H16N2O4 204.111006992 RDKit 2D;; 14 13 0 0 0 0 0 0 0 0999 V2000; -3.8971 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0; 4 5 1 0; 4 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 1 0;M END TP_Vor_4 ['4743-99-1'] C4H7NO4 133.037507704 RDKit 2D;; 9 8 0 0 0 0 0 0 0 0999 V2000; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 1 0;M END TP_Vor_5 ['285977-76-6', '1173022-32-6', '109945-04-2', '55511-07-4', '120416-14-0', '147416-04-4', '149748-09-4', '159037-04-4', '57745-60-5', '17217-83-3', '63459-47-2', '107745-70-0', '79562-15-5', '63459-47-2', '1563-80-0', '16651-47-1', '1563-79-7', '63459-47-2', '1186-52-3', '758-12-3', '78887-71-5', '2845-03-6', '1112-02-3', '64-19-7', '68475-71-8', '63459-47-2', '546-67-8', '4843-45-2', '158461-04-2', '71-50-1'] C2H4O2 60.021129368000004 RDKit 2D;; 4 3 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0;M END TP_Vor_6 C8H14N2O4 202.095356928 RDKit 2D;; 14 13 0 0 0 0 0 0 0 0999 V2000; -3.8971 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 1 0;M END TP_Vor_7 ['202656-22-2', '334974-04-8', '115881-16-8', '103963-58-2', '120-80-9', '12385-08-9', '26982-53-6'] C6H6O2 110.036779432 RDKit 2D;; 8 8 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 2 1 0;M END TP_Vor_8 C8H14N2O4 202.095356928 RDKit 2D;; 14 13 0 0 0 0 0 0 0 0999 V2000; -2.5981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 1 0;M END TP_Vor_9 ['152556-05-3', '201595-67-7', '94641-55-1', '21668-90-6', '61128-08-3', '14493-42-6', '13613-74-6', '5163-60-0', '79864-95-2', '56-14-4', '110-15-6', '26776-24-9'] C4H6O4 118.02660867200001 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 6 8 1 0;M END TP_Vor_10 C8H15NO5 205.09502258 RDKit 2D;; 14 13 0 0 0 0 0 0 0 0999 V2000; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.8971 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 2 0; 10 12 1 0; 2 13 1 0; 13 14 1 0;M END TP_Vor_11 ['1185239-59-1', '3588-17-8', '505-70-4', '1119-73-9', '1119-72-8'] C6H6O4 142.026608672 RDKit 2D;; 10 9 0 0 0 0 0 0 0 0999 V2000; 0.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 8 10 1 0;M END TP_Vor_12 ['147173-07-7', '925-94-0', '917-71-5', '1633-56-3', '1633-55-2', '920-42-3', '64-18-6', '14523-98-9', '82069-14-5', '71-47-6'] CH2O2 46.005479304 RDKit 2D;; 3 2 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0;M END TP_Vor_13 C8H16N2O3 188.116092372 RDKit 2D;; 13 12 0 0 0 0 0 0 0 0999 V2000; -2.5981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0;M END TP_Vor_14 C8H16N2O4 204.111006992 RDKit 2D;; 14 13 0 0 0 0 0 0 0 0999 V2000; -2.5981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 9 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 1 0;M END TP_Vor_15 ['31030-54-3'] C6H11NO4 161.068807832 RDKit 2D;; 11 10 0 0 0 0 0 0 0 0999 V2000; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0;M END TP_Vor_16 ['20406-62-6'] C5H6O3 114.031694052 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 2 0; 6 8 1 0;M END TP_Vor_17 ['18960-62-8', '1122-59-4', '100849-37-4', '7022-92-6', '55147-71-2', '65756-50-5', '14545-23-4', '4165-61-1', '62-53-3'] C6H7N 93.057849224 RDKit 2D;; 7 7 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 2 1 0;M END TP_Vor_18 ['149647-86-9'] C8H15NO4 189.10010796 RDKit 2D;; 13 12 0 0 0 0 0 0 0 0999 V2000; -1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.0933 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 10.3923 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0;M END TP_Vor_19 ['754966-21-7', '99124-30-8', '378785-77-4', '70155-58-7', '25713-22-8', '57-60-3', '127-17-3'] C3H4O3 88.016043988 RDKit 2D;; 6 5 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0; 4 5 2 0; 4 6 1 0;M END Efa ['1261394-62-0', '1132642-95-5', '154801-74-8', '1246812-58-7', '154598-52-4', '177530-93-7', '154635-17-3'] C14H9ClF3NO2 315.027390868 RDKit 2D;; 21 23 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 -1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7981 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9472 0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4244 0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4602 1.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 -3.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7981 -4.5264 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.6132 -2.4132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -1.6849 -4.7113 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 3 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 11 17 1 0; 17 18 1 0; 17 19 1 0; 17 20 1 0; 11 21 1 0; 21 2 1 0; 10 4 1 0; 16 14 1 0;M END TP_Efa_1 C14H9ClF3NO5 363.01213472800004 RDKit 2D;; 24 26 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1595 1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5691 2.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9786 2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7286 1.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.1277 3.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.7181 4.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4895 2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2291 4.2535 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.9877 2.5158 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -1.9667 3.0367 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 9 11 2 0; 11 12 1 0; 5 13 1 0; 13 14 1 0; 14 15 3 0; 15 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 13 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 13 24 1 0; 24 2 1 0; 11 4 1 0; 19 16 1 0;M END TP_Efa_2 C14H7ClF3NO3 329.006655424 RDKit 2D;; 22 24 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 -1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7981 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9472 0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4244 0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4602 1.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.1998 3.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 -3.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7981 -4.5264 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.6132 -2.4132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -1.6849 -4.7113 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 3 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 11 18 1 0; 18 19 1 0; 18 20 1 0; 18 21 1 0; 11 22 1 0; 22 2 1 0; 10 4 1 0; 16 14 1 0;M END TP_Efa_3 C14H9ClF3NO5 363.012134728 RDKit 2D;; 24 26 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1595 1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5691 2.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9786 2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4558 2.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.9428 3.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.2033 5.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.4895 2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2291 4.2535 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.9877 2.5158 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -1.9667 3.0367 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 9 11 2 0; 11 12 1 0; 5 13 1 0; 13 14 1 0; 14 15 3 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 13 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 13 24 1 0; 24 2 1 0; 11 4 1 0; 18 16 1 0;M END TP_Efa_4 C14H9ClF3NO3 331.022305488 RDKit 2D;; 22 24 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 -1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7981 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9472 0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4244 0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4602 1.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.1998 3.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 -3.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7981 -4.5264 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.6132 -2.4132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -1.6849 -4.7113 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 3 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 11 18 1 0; 18 19 1 0; 18 20 1 0; 18 21 1 0; 11 22 1 0; 22 2 1 0; 10 4 1 0; 16 14 1 0;M END TP_Efa_5 C14H9ClF3NO4 347.017220108 RDKit 2D;; 23 25 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1595 1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5691 2.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9786 2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4558 2.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.9428 3.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4895 2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2291 4.2535 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.9877 2.5158 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -1.9667 3.0367 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 9 11 2 0; 11 12 1 0; 5 13 1 0; 13 14 1 0; 14 15 3 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 13 19 1 0; 19 20 1 0; 19 21 1 0; 19 22 1 0; 13 23 1 0; 23 2 1 0; 11 4 1 0; 18 16 1 0;M END TP_Efa_6 C14H7ClF3NO5 360.996484664 RDKit 2D;; 24 26 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1595 1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5691 2.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9786 2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4558 2.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.9428 3.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.2033 5.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.4895 2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2291 4.2535 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.9877 2.5158 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -1.9667 3.0367 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 9 11 2 0; 11 12 1 0; 5 13 1 0; 13 14 1 0; 14 15 3 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 13 20 1 0; 20 21 1 0; 20 22 1 0; 20 23 1 0; 13 24 1 0; 24 2 1 0; 11 4 1 0; 18 16 1 0;M END TP_Efa_7 C14H9ClF3NO3 331.022305488 RDKit 2D;; 22 24 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 -1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7981 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9472 0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1972 1.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.3567 0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0963 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 -3.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7981 -4.5264 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.6132 -2.4132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -1.6849 -4.7113 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 3 0; 13 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 11 18 1 0; 18 19 1 0; 18 20 1 0; 18 21 1 0; 11 22 1 0; 22 2 1 0; 10 4 1 0; 17 14 1 0;M END TP_Efa_8 C14H7ClF3NO4 345.001570044 RDKit 2D;; 23 25 0 0 0 0 0 0 0 0999 V2000; -7.7213 -7.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.5722 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4415 -5.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9472 -5.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7981 -4.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 -3.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6491 -1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7981 -0.6697 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.6132 -2.7830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -2.1165 -0.5418 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0779 -6.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 3 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 8 11 1 0; 7 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 4 23 1 0; 23 2 1 0; 22 7 1 0; 22 16 1 0;M END Clt ['1185076-41-8', '23593-75-1', '117829-71-7'] C22H17ClN2 344.10802622400007 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; -1.3038 1.8724 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0981 5.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.3971 4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.3971 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0981 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0981 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.3971 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.3971 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0981 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.6399 5.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7546 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0537 5.5211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7418 4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 8 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 8 21 1 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 7 2 1 0; 14 9 1 0; 20 15 1 0; 25 21 1 0;M END TP_Clt_1 C17H13ClN2O4 344.0563845760001 RDKit 2D;; 24 26 0 0 0 0 0 0 0 0999 V2000; 3.8056 -2.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 -0.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3653 -1.9361 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.4081 -3.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 -3.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.0442 -4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4231 -5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1731 -3.8527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 -2.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 4 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 1 0; 16 18 2 0; 18 19 1 0; 4 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 10 5 1 0; 18 12 1 0; 24 20 1 0;M END TP_Clt_2 ['285977-76-6', '1173022-32-6', '109945-04-2', '55511-07-4', '120416-14-0', '147416-04-4', '149748-09-4', '159037-04-4', '57745-60-5', '17217-83-3', '63459-47-2', '107745-70-0', '79562-15-5', '63459-47-2', '1563-80-0', '16651-47-1', '1563-79-7', '63459-47-2', '1186-52-3', '758-12-3', '78887-71-5', '2845-03-6', '1112-02-3', '64-19-7', '68475-71-8', '63459-47-2', '546-67-8', '4843-45-2', '158461-04-2', '71-50-1'] C2H4O2 60.021129368000004 RDKit 2D;; 4 3 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0;M END TP_Clt_3 C21H17ClN2O3 380.09277008400005 RDKit 2D;; 27 29 0 0 0 0 0 0 0 0999 V2000; 4.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0446 -5.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0981 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.3971 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.3971 -0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0981 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 -0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2256 0.2057 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 -3.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.0442 -4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4231 -5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1731 -3.8527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 -2.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 2 0; 6 8 1 0; 3 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 9 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 9 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 15 10 1 0; 21 16 1 0; 27 23 1 0;M END TP_Clt_4 ['147173-07-7', '925-94-0', '917-71-5', '1633-56-3', '1633-55-2', '920-42-3', '64-18-6', '14523-98-9', '82069-14-5', '71-47-6'] CH2O2 46.005479304 RDKit 2D;; 3 2 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0;M END TP_Clt_5 C19H15ClN2O3 354.07712002000005 RDKit 2D;; 25 27 0 0 0 0 0 0 0 0999 V2000; 3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3038 -3.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0981 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.3971 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.3971 -0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.0981 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 -0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7201 0.6940 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 -3.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.0442 -4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4231 -5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1731 -3.8527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.1694 -2.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 7 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 7 21 1 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 13 8 1 0; 19 14 1 0; 25 21 1 0;M END TP_Clt_6 ['20406-62-6'] C5H6O3 114.031694052 RDKit 2D;; 8 7 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.4952 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 2 0; 6 8 1 0;M END TP_Clt_7 C22H17ClN2O2 376.097855464 RDKit 2D;; 27 30 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7990 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7990 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.0981 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3971 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3971 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.0981 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2910 3.3715 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.2010 3.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.0442 4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.4231 5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.1731 3.8527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.1694 2.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7920 2.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 7 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 7 21 1 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 6 26 2 0; 26 27 1 0; 26 2 1 0; 13 8 1 0; 19 14 1 0; 25 21 1 0;M END TP_Clt_8 C17H13ClN2O2 312.066555336 RDKit 2D;; 22 24 0 0 0 0 0 0 0 0999 V2000; -1.0981 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0677 -4.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4147 -5.3294 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 -1.8481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 4.1694 -2.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.1731 -1.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.4231 -0.0444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.9558 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 4 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 4 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 10 5 1 0; 16 11 1 0; 22 18 1 0;M END TP_Clt_9 ['754966-21-7', '99124-30-8', '378785-77-4', '70155-58-7', '25713-22-8', '57-60-3', '127-17-3'] C3H4O3 88.016043988 RDKit 2D;; 6 5 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0; 4 5 2 0; 4 6 1 0;M END Die ['2376035-92-4', '65928-58-7'] C20H25NO2 311.18852904000005 RDKit 2D;; 23 26 0 0 0 0 0 0 0 0999 V2000; 4.4998 -5.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8980 -6.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.4635 -9.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.7135 -10.5199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 3 0; 16 2 1 0; 19 2 1 0; 15 5 1 0; 12 6 1 0;M END TP_Die_1 C20H26O5 346.1780239319999 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 5.5949 4.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1385 4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5807 3.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.5604 2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 -1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6761 4.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5417 6.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9210 7.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.9079 5.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2088 5.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.9281 7.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.3905 6.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.8327 5.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.4108 7.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 17 2 1 0; 20 2 1 0; 16 5 1 0; 13 6 1 0;M END TP_Die_2 C20H27NO4 345.194008344 RDKit 2D;; 25 28 0 0 0 0 0 0 0 0999 V2000; 5.5949 4.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1385 4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5807 3.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.5604 2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 -1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8180 2.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6761 4.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5417 6.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9210 7.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.9079 5.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2088 5.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.9281 7.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.3905 6.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.8529 6.3699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 3 0; 18 2 1 0; 21 2 1 0; 17 5 1 0; 13 6 1 0;M END TP_Die_3 ['285977-76-6', '1173022-32-6', '109945-04-2', '55511-07-4', '120416-14-0', '147416-04-4', '149748-09-4', '159037-04-4', '57745-60-5', '17217-83-3', '63459-47-2', '107745-70-0', '79562-15-5', '63459-47-2', '1563-80-0', '16651-47-1', '1563-79-7', '63459-47-2', '1186-52-3', '758-12-3', '78887-71-5', '2845-03-6', '1112-02-3', '64-19-7', '68475-71-8', '63459-47-2', '546-67-8', '4843-45-2', '158461-04-2', '71-50-1'] C2H4O2 60.021129368000004 RDKit 2D;; 4 3 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0;M END TP_Die_4 C20H25NO3 327.18344366 RDKit 2D;; 24 27 0 0 0 0 0 0 0 0999 V2000; 5.5949 4.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1385 4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5807 3.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.5604 2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 -1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6761 4.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5417 6.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9210 7.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.9079 5.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2088 5.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.9281 7.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.3905 6.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.8529 6.3699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 1 0; 23 24 3 0; 17 2 1 0; 20 2 1 0; 16 5 1 0; 13 6 1 0;M END TP_Die_5 C20H29NO5 363.204573028 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; -2.4668 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1470 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8351 3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0967 5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2114 6.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8995 7.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0143 8.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.3299 5.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.6257 6.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5119 6.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.3032 8.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9124 8.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.4852 8.9476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.4446 4.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.1328 3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7062 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5321 -0.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.3442 -2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7707 -2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1973 -3.1443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 6 10 1 0; 10 11 1 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 10 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 24 25 1 0; 25 26 3 0; 19 2 1 0; 22 2 1 0; 18 5 1 0;M END TP_Die_6 C20H27NO4 345.194008344 RDKit 2D;; 25 27 0 0 0 0 0 0 0 0999 V2000; -2.8171 11.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7024 10.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2758 10.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.0143 8.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.8995 7.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2114 6.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0967 5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8351 3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1470 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4668 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5321 -0.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.3442 -2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7707 -2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1973 -3.1443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7062 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.1328 3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4446 4.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3299 5.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6418 7.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 3 0; 13 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 24 7 1 0; 21 8 1 0; 16 11 1 0;M END TP_Die_7 C20H27NO4 345.194008344 RDKit 2D;; 25 27 0 0 0 0 0 0 0 0999 V2000; -2.4668 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1470 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8351 3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0967 5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2114 6.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6380 5.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7527 6.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.3299 5.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6418 7.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5271 8.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8995 7.6226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.8389 9.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.4446 4.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.1328 3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7062 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5321 -0.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.3442 -2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7707 -2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1973 -3.1443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 6 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 10 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 3 0; 18 2 1 0; 21 2 1 0; 17 5 1 0;M END TP_Die_8 C20H28O6 364.1885886159999 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; -2.4668 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1470 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8351 3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0967 5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2114 6.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6380 5.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7527 6.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.3299 5.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6418 7.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5271 8.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8995 7.6226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.8389 9.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.4446 4.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.1328 3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7062 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5321 -0.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.3442 -2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7707 -2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8855 -1.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0826 -4.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 6 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 10 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 2 0; 24 26 1 0; 18 2 1 0; 21 2 1 0; 17 5 1 0;M END TP_Die_9 ['24640-00-4'] C18H22O3 286.15689456399997 RDKit 2D;; 21 24 0 0 0 0 0 0 0 0999 V2000; 4.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 16 2 1 0; 21 2 1 0; 15 5 1 0; 12 6 1 0;M END TP_Die_10 C20H25NO4 343.17835828 RDKit 2D;; 25 27 0 0 0 0 0 0 0 0999 V2000; -2.4668 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1470 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8351 3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0967 5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2114 6.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6380 5.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7527 6.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.3299 5.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6418 7.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5271 8.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8995 7.6226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.8389 9.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.4446 4.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.1328 3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7062 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5321 -0.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.3442 -2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7707 -2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1973 -3.1443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 6 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 10 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 3 0; 18 2 1 0; 21 2 1 0; 17 5 1 0;M END TP_Die_11 ['13885-20-6', '5173-46-6', '33383-90-3'] C18H22O2 270.161979944 RDKit 2D;; 20 23 0 0 0 0 0 0 0 0999 V2000; 4.4918 -5.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8901 -7.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 16 2 1 0; 19 2 1 0; 15 5 1 0; 12 6 1 0;M END TP_Die_12 C20H26O4 330.18310931199994 RDKit 2D;; 24 27 0 0 0 0 0 0 0 0999 V2000; 4.4998 -5.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8980 -6.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.4635 -9.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.9635 -9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.2135 -10.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 22 23 2 0; 22 24 1 0; 16 2 1 0; 19 2 1 0; 15 5 1 0; 12 6 1 0;M END TP_Die_13 C18H22O3 286.15689456399997 RDKit 2D;; 21 24 0 0 0 0 0 0 0 0999 V2000; 5.6278 4.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1385 4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5807 3.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.5604 2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 -1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6761 4.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5417 6.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9210 7.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.9079 5.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4018 6.0723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 17 2 1 0; 20 2 1 0; 16 5 1 0; 13 6 1 0;M END TP_Die_14 C20H28O6 364.1885886159999 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; 5.5949 4.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1385 4.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5807 3.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.5604 2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0980 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7286 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0777 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 -1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9088 -1.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5574 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3846 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8180 2.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.8268 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1935 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6559 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6761 4.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5417 6.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9210 7.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.9079 5.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2088 5.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.9281 7.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.3905 6.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.8327 5.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.4108 7.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 2 0; 24 26 1 0; 18 2 1 0; 21 2 1 0; 17 5 1 0; 13 6 1 0;M END Nil ['1268356-17-7', '1215678-43-5', '641571-10-0', '641571-10-0', '1353151-22-0'] C28H22F3N7O 529.1837929840001 RDKit 2D;; 39 43 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 22 29 2 0; 16 30 2 0; 7 31 2 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 33 35 1 0; 33 36 1 0; 32 37 2 0; 4 38 1 0; 38 39 2 0; 39 2 1 0; 37 5 1 0; 30 11 1 0; 29 18 1 0; 28 23 1 0;M END TP_Nil_1 C15H14N4O4 314.10150492799994 RDKit 2D;; 23 24 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 8 15 2 0; 2 16 1 0; 16 17 1 0; 17 18 1 0; 16 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 2 0; 21 23 1 0; 15 4 1 0; 14 9 1 0;M END TP_Nil_2 ['471-47-6', '66257-53-2'] C2H3NO3 89.011292956 RDKit 2D;; 6 5 0 0 0 0 0 0 0 0999 V2000; -1.2990 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0; 4 5 2 0; 4 6 1 0;M END TP_Nil_3 C28H20F3N7O2 543.1630575400001 RDKit 2D;; 40 44 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 14 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 23 30 2 0; 17 31 2 0; 7 32 2 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 34 36 1 0; 34 37 1 0; 33 38 2 0; 4 39 1 0; 39 40 2 0; 40 2 1 0; 38 5 1 0; 31 11 1 0; 30 19 1 0; 29 24 1 0;M END TP_Nil_4 C13H10F3N3O3 313.06742584000006 RDKit 2D;; 22 23 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 11 13 1 0; 7 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 16 18 1 0; 16 19 1 0; 15 20 2 0; 4 21 1 0; 21 22 2 0; 22 2 1 0; 20 5 1 0;M END TP_Nil_5 ['43058-40-8', '920-52-5', '2065-73-8', '338-70-5', '144-62-7'] C2H2O4 89.995308544 RDKit 2D;; 6 5 0 0 0 0 0 0 0 0999 V2000; -0.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 4 6 1 0;M END TP_Nil_6 C27H22F3N7O3 549.173622224 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.6740 4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 2 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 1 0; 18 20 2 0; 14 21 2 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 23 26 1 0; 22 27 2 0; 6 28 1 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 2 0; 33 40 2 0; 27 12 1 0; 40 29 1 0; 20 15 1 0; 39 34 1 0;M END TP_Nil_7 C28H26F3N7O6 613.189666212 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.7990 9.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.0981 10.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.3971 9.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3971 8.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.6962 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.2010 11.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2010 12.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0981 13.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 13.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 23 30 1 0; 30 31 1 0; 31 32 2 0; 31 33 1 0; 22 34 2 0; 16 35 2 0; 7 36 2 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 38 40 1 0; 38 41 1 0; 37 42 2 0; 4 43 1 0; 43 44 2 0; 44 2 1 0; 42 5 1 0; 35 11 1 0; 34 18 1 0;M END TP_Nil_8 C28H24F3N7O6 611.1740161480001 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7418 4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0537 5.5211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.7546 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.5978 7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.2275 8.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.6399 5.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -0.5490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -2.0490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 15 18 2 0; 11 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 20 25 2 0; 5 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 37 39 1 0; 34 40 1 0; 40 41 1 0; 41 42 2 0; 41 43 1 0; 33 44 2 0; 27 2 1 0; 44 29 1 0; 25 9 1 0; 18 12 1 0;M END TP_Nil_9 C17H14N4O6 370.09133416800006 RDKit 2D;; 27 28 0 0 0 0 0 0 0 0999 V2000; 6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7803 -3.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.2920 -2.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 2 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 8 12 1 0; 12 13 2 0; 12 14 1 0; 6 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 20 27 2 0; 27 16 1 0; 26 21 1 0;M END TP_Nil_10 C28H20F3N7O4 575.15288678 RDKit 2D;; 42 46 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7418 4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0537 5.5211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.7546 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.5978 7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8113 8.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.6399 5.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -0.5490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -2.0490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 15 18 2 0; 11 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 20 25 2 0; 5 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 37 39 1 0; 39 40 1 0; 39 41 2 0; 33 42 2 0; 27 2 1 0; 42 29 1 0; 25 9 1 0; 41 34 1 0; 18 12 1 0;M END TP_Nil_11 C28H22F3N7O3 561.173622224 RDKit 2D;; 41 45 0 0 0 0 0 0 0 0999 V2000; -4.2718 0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0583 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6317 -0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -5.1962 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 5.0490 -3.1471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 2.4510 -4.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6317 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0583 -2.0490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 26 28 1 0; 28 29 1 0; 28 30 2 0; 22 31 2 0; 16 32 2 0; 7 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 35 37 1 0; 35 38 1 0; 34 39 2 0; 4 40 1 0; 40 41 2 0; 41 2 1 0; 39 5 1 0; 32 11 1 0; 31 18 1 0; 30 23 1 0;M END TP_Nil_12 C28H22F3N7O4 577.1685368440001 RDKit 2D;; 42 46 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7418 4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0537 5.5211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.7546 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.5978 7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8113 8.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.6399 5.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -0.5490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -2.0490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 11.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 15 18 2 0; 11 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 20 25 2 0; 5 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 37 39 1 0; 39 40 1 0; 39 41 2 0; 33 42 2 0; 27 2 1 0; 42 29 1 0; 25 9 1 0; 41 34 1 0; 18 12 1 0;M END TP_Nil_13 ['285977-76-6', '1173022-32-6', '109945-04-2', '55511-07-4', '120416-14-0', '147416-04-4', '149748-09-4', '159037-04-4', '57745-60-5', '17217-83-3', '63459-47-2', '107745-70-0', '79562-15-5', '63459-47-2', '1563-80-0', '16651-47-1', '1563-79-7', '63459-47-2', '1186-52-3', '758-12-3', '78887-71-5', '2845-03-6', '1112-02-3', '64-19-7', '68475-71-8', '63459-47-2', '546-67-8', '4843-45-2', '158461-04-2', '71-50-1'] C2H4O2 60.021129368000004 RDKit 2D;; 4 3 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0;M END TP_Nil_14 C28H22F3N7O3 561.173622224 RDKit 2D;; 41 45 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 19 26 2 0; 13 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 31 2 0; 31 32 1 0; 7 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 35 37 1 0; 35 38 1 0; 34 39 2 0; 4 40 1 0; 40 41 2 0; 41 2 1 0; 39 5 1 0; 31 11 1 0; 26 15 1 0; 25 20 1 0;M END TP_Nil_15 C15H12N4O5 328.080769484 RDKit 2D;; 24 25 0 0 0 0 0 0 0 0999 V2000; 7.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 14 21 2 0; 6 22 1 0; 22 23 2 0; 22 24 1 0; 21 10 1 0; 20 15 1 0;M END TP_Nil_16 C28H22F3N7O4 577.168536844 RDKit 2D;; 42 46 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 19 26 2 0; 13 27 2 0; 27 28 1 0; 28 29 1 0; 27 30 1 0; 30 31 1 0; 30 32 2 0; 32 33 1 0; 7 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 36 39 1 0; 35 40 2 0; 4 41 1 0; 41 42 2 0; 42 2 1 0; 40 5 1 0; 32 11 1 0; 26 15 1 0; 25 20 1 0;M END TP_Nil_17 C28H24F3N7O6 611.174016148 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; -6.5218 1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 -1.8481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 -3.3481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 24 30 1 0; 30 31 1 0; 31 32 2 0; 31 33 1 0; 23 34 2 0; 17 35 2 0; 7 36 2 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 38 40 1 0; 38 41 1 0; 37 42 2 0; 4 43 1 0; 43 44 2 0; 44 2 1 0; 42 5 1 0; 35 11 1 0; 34 19 1 0;M END TP_Nil_18 ['1246815-34-8', '641571-11-1'] C11H10F3N3 241.08268198 RDKit 2D;; 17 18 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 7 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 11 14 1 0; 10 15 2 0; 4 16 1 0; 16 17 2 0; 17 2 1 0; 15 5 1 0;M END TP_Nil_19 C11H10N4O2 230.08037556 RDKit 2D;; 17 18 0 0 0 0 0 0 0 0999 V2000; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 10 17 2 0; 17 6 1 0; 16 11 1 0;M END TP_Nil_20 C27H24F3N7O3 551.189272288 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; -6.5218 1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 -1.8481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 -3.3481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 23 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 22 30 2 0; 16 31 2 0; 7 32 2 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 34 36 1 0; 34 37 1 0; 33 38 2 0; 4 39 1 0; 39 40 2 0; 40 2 1 0; 38 5 1 0; 31 11 1 0; 30 18 1 0;M END TP_Nil_21 C13H10F3N3O4 329.06234046000003 RDKit 2D;; 23 24 0 0 0 0 0 0 0 0999 V2000; 6.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.8875 -3.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 3.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.2010 3.3481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -2.7990 1.8481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 13 16 2 0; 9 17 2 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 19 22 1 0; 18 23 2 0; 23 7 1 0; 16 10 1 0;M END TP_Nil_22 C11H10N4O 214.08546094 RDKit 2D;; 16 17 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 2 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 9 16 2 0; 16 5 1 0; 15 10 1 0;M END TP_Nil_23 C28H22F3N7O2 545.1787076040001 RDKit 2D;; 40 44 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 2 0; 23 30 2 0; 17 31 2 0; 7 32 2 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 34 36 1 0; 34 37 1 0; 33 38 2 0; 4 39 1 0; 39 40 2 0; 40 2 1 0; 38 5 1 0; 31 11 1 0; 30 19 1 0; 29 24 1 0;M END TP_Nil_24 C28H22F3N7O6 609.158366084 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 12.9904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 19 26 2 0; 13 27 2 0; 27 28 1 0; 28 29 1 0; 27 30 1 0; 30 31 2 0; 30 32 1 0; 11 33 1 0; 33 34 2 0; 33 35 1 0; 7 36 2 0; 36 37 1 0; 37 38 1 0; 38 39 1 0; 38 40 1 0; 38 41 1 0; 37 42 2 0; 4 43 1 0; 43 44 2 0; 44 2 1 0; 42 5 1 0; 26 15 1 0; 25 20 1 0;M END TP_Nil_25 C28H22F3N7O4 577.1685368440001 RDKit 2D;; 42 46 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7418 4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0537 5.5211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.7546 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.5978 7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.2275 8.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.6399 5.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -0.5490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -2.0490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 9 16 2 0; 3 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 28 31 2 0; 24 32 2 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 34 36 1 0; 34 37 1 0; 33 38 2 0; 18 39 1 0; 39 40 1 0; 39 41 2 0; 41 42 1 0; 41 2 1 0; 16 5 1 0; 38 22 1 0; 15 10 1 0; 31 25 1 0;M END TP_Nil_26 ['600-18-0'] C4H6O3 102.031694052 RDKit 2D;; 7 6 0 0 0 0 0 0 0 0999 V2000; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 2 0; 5 7 1 0;M END TP_Nil_27 C11H9F3N2O2 258.061612188 RDKit 2D;; 18 19 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 7 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 12 14 1 0; 12 15 1 0; 11 16 2 0; 4 17 1 0; 17 18 2 0; 18 2 1 0; 16 5 1 0;M END TP_Nil_28 C28H20F3N7O2 543.1630575400001 RDKit 2D;; 40 44 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7418 4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0537 5.5211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.7546 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.5978 7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8113 8.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.6399 5.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -0.5490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -2.0490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 15 18 2 0; 11 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 20 25 2 0; 5 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 2 0; 33 40 2 0; 27 2 1 0; 40 29 1 0; 25 9 1 0; 39 34 1 0; 18 12 1 0;M END TP_Nil_29 C26H20F3N7O5 567.1478014 RDKit 2D;; 41 44 0 0 0 0 0 0 0 0999 V2000; -0.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.4918 -5.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8037 -3.5721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.5046 -2.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.3478 -1.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5613 -0.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.3899 -3.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 -11.6913 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -7.2990 -9.6423 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -4.7010 -11.1423 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 14 21 2 0; 6 22 1 0; 22 23 2 0; 22 24 1 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 31 34 2 0; 27 35 2 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 37 39 1 0; 37 40 1 0; 36 41 2 0; 21 10 1 0; 41 25 1 0; 20 15 1 0; 34 28 1 0;M END TP_Nil_30 C28H22F3N7O2 545.1787076040001 RDKit 2D;; 40 44 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7418 4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0537 5.5211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.7546 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.5978 7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.8113 8.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.6399 5.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -0.5490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -2.0490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 15 18 2 0; 11 19 2 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 21 24 1 0; 20 25 2 0; 5 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 30 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 36 37 2 0; 37 38 1 0; 38 39 2 0; 33 40 2 0; 27 2 1 0; 40 29 1 0; 25 9 1 0; 39 34 1 0; 18 12 1 0;M END TP_Nil_31 C11H9F3N2O2 258.061612188 RDKit 2D;; 18 19 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 3.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 1.8481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 3.3481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 8 11 1 0; 7 12 2 0; 12 13 1 0; 13 14 1 0; 13 15 2 0; 15 16 1 0; 4 17 1 0; 17 18 2 0; 18 2 1 0; 15 5 1 0;M END TP_Nil_32 C15H12F3N3O4 355.07799052400003 RDKit 2D;; 25 26 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 2 0; 14 16 1 0; 7 17 2 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 19 22 1 0; 18 23 2 0; 4 24 1 0; 24 25 2 0; 25 2 1 0; 23 5 1 0;M END TP_Nil_33 C28H20F3N7O3 559.15797216 RDKit 2D;; 41 45 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 15 17 1 0; 14 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 1 0; 25 26 2 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 2 0; 24 31 2 0; 18 32 2 0; 7 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 35 37 1 0; 35 38 1 0; 34 39 2 0; 4 40 1 0; 40 41 2 0; 41 2 1 0; 39 5 1 0; 32 11 1 0; 31 20 1 0; 30 25 1 0;M END TP_Nil_34 C28H22F3N7O6 609.158366084 RDKit 2D;; 44 47 0 0 0 0 0 0 0 0999 V2000; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.6740 4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.8875 3.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 2 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 8 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 21 24 2 0; 17 25 2 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 27 30 1 0; 26 31 2 0; 6 32 1 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 35 36 2 0; 36 37 1 0; 37 38 1 0; 38 39 2 0; 39 40 1 0; 40 41 2 0; 41 42 1 0; 42 43 2 0; 37 44 2 0; 31 15 1 0; 44 33 1 0; 24 18 1 0; 43 38 1 0;M END TP_Nil_35 C28H20F3N7O4 575.15288678 RDKit 2D;; 42 46 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7418 4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0537 5.5211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.7546 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.5978 7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.2275 8.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.6399 5.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -0.5490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -2.0490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 9 16 2 0; 3 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 28 29 1 0; 29 30 2 0; 28 31 2 0; 24 32 2 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 34 36 1 0; 34 37 1 0; 33 38 2 0; 18 39 1 0; 39 40 1 0; 39 41 2 0; 41 42 1 0; 41 2 1 0; 16 5 1 0; 38 22 1 0; 15 10 1 0; 31 25 1 0;M END TP_Nil_36 ['75502-10-2', '111389-68-5', '666-14-8', '79-14-1', '26124-68-5'] C2H4O3 76.01604398799999 RDKit 2D;; 5 4 0 0 0 0 0 0 0 0999 V2000; 1.2990 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2990 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 1 0;M END TP_Nil_37 C15H14N4O3 298.10659030799997 RDKit 2D;; 22 23 0 0 0 0 0 0 0 0999 V2000; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 8 15 2 0; 2 16 1 0; 16 17 1 0; 16 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 2 0; 20 22 1 0; 15 4 1 0; 14 9 1 0;M END TP_Nil_38 C28H20F3N7O4 575.1528867799999 RDKit 2D;; 42 46 0 0 0 0 0 0 0 0999 V2000; -4.2718 0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0583 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6317 -0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -5.1962 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 5.0490 -3.1471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 2.4510 -4.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6317 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0583 -2.0490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 14 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 31 2 0; 23 32 2 0; 17 33 2 0; 7 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 36 39 1 0; 35 40 2 0; 4 41 1 0; 41 42 2 0; 42 2 1 0; 40 5 1 0; 33 11 1 0; 32 19 1 0; 31 24 1 0;M END TP_Nil_39 C28H22F3N7O4 577.168536844 RDKit 2D;; 42 46 0 0 0 0 0 0 0 0999 V2000; -4.2718 0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0583 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6317 -0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -5.1962 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 5.0490 -3.1471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 2.4510 -4.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6317 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0583 -2.0490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 14 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 29 31 2 0; 23 32 2 0; 17 33 2 0; 7 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 36 39 1 0; 35 40 2 0; 4 41 1 0; 41 42 2 0; 42 2 1 0; 40 5 1 0; 33 11 1 0; 32 19 1 0; 31 24 1 0;M END TP_Nil_40 C28H22F3N7O5 593.1634514640001 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; 1.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.6740 4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 2 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 8 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 1 0; 21 23 2 0; 17 24 2 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 26 28 1 0; 26 29 1 0; 25 30 2 0; 6 31 1 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 2 0; 35 36 1 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 2 0; 40 41 1 0; 41 42 2 0; 36 43 2 0; 30 15 1 0; 43 32 1 0; 23 18 1 0; 42 37 1 0;M END TP_Nil_41 C28H24F3N7O5 595.1791015279999 RDKit 2D;; 43 46 0 0 0 0 0 0 0 0999 V2000; -6.5218 1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 10.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 12.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 14.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -3.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 2.7990 -1.8481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.2010 -3.3481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8817 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3083 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 23 29 1 0; 29 30 1 0; 30 31 2 0; 30 32 1 0; 22 33 2 0; 16 34 2 0; 7 35 2 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 37 39 1 0; 37 40 1 0; 36 41 2 0; 4 42 1 0; 42 43 2 0; 43 2 1 0; 41 5 1 0; 34 11 1 0; 33 18 1 0;M END TP_Nil_42 C28H20F3N7O4 575.1528867799999 RDKit 2D;; 42 46 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 15.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 19 26 2 0; 13 27 2 0; 27 28 1 0; 28 29 2 0; 27 30 1 0; 30 31 1 0; 30 32 2 0; 32 33 1 0; 7 34 2 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 36 38 1 0; 36 39 1 0; 35 40 2 0; 4 41 1 0; 41 42 2 0; 42 2 1 0; 40 5 1 0; 32 11 1 0; 26 15 1 0; 25 20 1 0;M END TP_Nil_43 C26H20F3N7O4 551.1528867799999 RDKit 2D;; 40 43 0 0 0 0 0 0 0 0999 V2000; 4.6740 -4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3037 -4.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9918 -2.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 11.6913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8899 -3.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.0046 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 19 26 2 0; 11 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 2 0; 29 31 1 0; 7 32 2 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 34 36 1 0; 34 37 1 0; 33 38 2 0; 4 39 1 0; 39 40 2 0; 40 2 1 0; 38 5 1 0; 26 15 1 0; 25 20 1 0;M END TP_Nil_44 ['1807607-72-2'] C28H20F3N7O3 559.15797216 RDKit 2D;; 41 45 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.7418 4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.0537 5.5211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.7546 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.5978 7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.2275 8.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.8113 8.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.6399 5.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -9.5490 -0.5490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.9510 -2.0490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 6 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 15 19 2 0; 11 20 2 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 22 24 1 0; 22 25 1 0; 21 26 2 0; 5 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 33 34 1 0; 34 35 1 0; 35 36 2 0; 36 37 1 0; 37 38 2 0; 38 39 1 0; 39 40 2 0; 34 41 2 0; 28 2 1 0; 41 30 1 0; 26 9 1 0; 40 35 1 0; 19 12 1 0;M END Atv ['2070015-14-2', '1217612-80-0', '1329792-63-3', '1163294-17-4', '95233-18-4', '94015-53-9', '137732-39-9'] C22H19ClO3 366.102272148 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; 1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -12.9904 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 11 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 21 23 1 0; 23 24 2 0; 17 25 1 0; 25 26 1 0; 13 2 1 0; 26 14 1 0; 10 5 1 0; 24 18 1 0;M END TP_Atv_1 C22H21ClO5 400.10775145200006 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.2500 3.8971 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 12.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 19 27 1 0; 27 28 1 0; 9 4 1 0; 28 16 1 0; 26 20 1 0;M END TP_Atv_2 C22H19ClO3 366.102272148 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; -3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -12.9904 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 13 15 1 0; 15 16 2 0; 9 17 1 0; 17 18 1 0; 5 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 26 2 1 0; 18 6 1 0; 26 21 1 0; 16 10 1 0;M END TP_Atv_3 C22H21ClO4 384.11283683199997 RDKit 2D;; 27 29 0 0 0 0 0 0 0 0999 V2000; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 7 15 1 0; 15 16 1 0; 2 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 25 27 1 0; 16 4 1 0; 24 19 1 0; 14 8 1 0;M END TP_Atv_4 C22H21ClO5 400.10775145199995 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; 1.2709 -4.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.4200 -3.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.1595 -1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4895 -2.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8296 -3.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.9786 -2.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 4.0900 -5.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9410 -6.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.2014 -7.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.6110 -8.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.7600 -7.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.4996 -5.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.6486 -4.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.3882 -3.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 8.0582 -5.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 4 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 2 0; 8 16 1 0; 16 17 1 0; 2 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 17 4 1 0; 25 20 1 0; 15 9 1 0;M END TP_Atv_5 C22H21ClO5 400.10775145199995 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 7 15 1 0; 15 16 1 0; 15 17 1 0; 2 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 17 4 1 0; 25 20 1 0; 14 8 1 0;M END TP_Atv_6 C22H19ClO4 382.097186768 RDKit 2D;; 27 30 0 0 0 0 0 0 0 0999 V2000; -3.1476 -2.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.6852 -2.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3515 -3.9342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -4.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -6.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.3515 -3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5242 -4.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.3006 -6.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.4734 -7.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8697 -6.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0424 -7.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.8189 -9.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.9916 -10.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.3879 -9.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.5607 -10.4808 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 8.6115 -8.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.4388 -7.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.0933 -5.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9205 -4.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6852 -2.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1476 -2.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 14 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 1 0; 6 20 1 0; 20 21 2 0; 20 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 2 1 0; 19 7 1 0; 27 22 1 0; 17 11 1 0;M END TP_Atv_7 C22H21ClO5 400.10775145199995 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 7 15 1 0; 15 16 1 0; 16 17 1 0; 2 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 16 4 1 0; 25 20 1 0; 14 8 1 0;M END TP_Atv_8 C22H21ClO5 400.10775145200006 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 11.6913 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 12 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 19 27 1 0; 27 28 1 0; 9 4 1 0; 28 16 1 0; 26 20 1 0;M END TP_Atv_9 C22H21ClO5 400.10775145199995 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; -0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4895 2.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.1595 1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4200 3.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8296 3.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9786 2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.3882 3.3512 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -4.7181 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3086 0.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -9.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 7 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 12 14 1 0; 14 15 2 0; 7 16 1 0; 16 17 1 0; 2 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 17 4 1 0; 25 20 1 0; 15 9 1 0;M END TP_Atv_10 C22H21ClO5 400.10775145200006 RDKit 2D;; 28 30 0 0 0 0 0 0 0 0999 V2000; -0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 11.6913 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 10 12 1 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 12 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 23 25 1 0; 25 26 2 0; 19 27 1 0; 27 28 1 0; 9 4 1 0; 28 16 1 0; 26 20 1 0;M END Abe ['1231929-97-7', '1231929-97-7'] C27H32F2N8 506.2717994640001 RDKit 2D;; 37 41 0 0 0 0 0 0 0 0999 V2000; -9.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 2.4138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4231 2.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 0.3119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -4.0819 -0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.5085 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7701 -2.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 16 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 1 0; 21 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 25 27 1 0; 27 28 1 0; 28 29 1 0; 28 30 1 0; 27 31 1 0; 31 32 2 0; 18 33 2 0; 11 34 1 0; 34 35 2 0; 6 36 1 0; 36 37 1 0; 37 3 1 0; 35 8 1 0; 33 13 1 0; 32 19 1 0; 31 23 1 0;M END Aca ['1952316-43-6', '1420477-60-6'] C26H23N7O2 465.1913229760001 RDKit 2D;; 35 39 0 0 0 0 0 0 0 0999 V2000; -7.7508 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4517 0.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.1527 -0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.8536 -0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5546 -0.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.8536 -2.3075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.0672 -3.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.6036 -4.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1036 -4.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6401 -3.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -3.6073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6401 -3.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9520 -4.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3786 -5.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.4933 -4.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.9199 -4.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.0346 -3.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.2317 -6.0469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 8.6583 -6.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.9702 -7.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.3968 -8.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.5115 -7.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.1996 -5.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7730 -5.5068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.1814 -2.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7548 -2.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 3 0; 3 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 18 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 24 25 1 0; 25 26 2 0; 17 27 1 0; 27 28 2 0; 13 29 2 0; 29 30 1 0; 30 31 1 0; 30 32 2 0; 32 33 1 0; 33 34 2 0; 34 35 1 0; 10 6 1 0; 35 11 1 0; 28 14 1 0; 35 29 1 0; 26 21 1 0;M END Aml ['1346616-97-4', '1185246-14-3', '103129-82-4', '103129-81-3', '88150-42-9', '88150-42-9'] C20H25ClN2O5 408.14519958 RDKit 2D;; 28 29 0 0 0 0 0 0 0 0999 V2000; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1155 3.5040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.2268 4.0171 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 7 13 1 0; 13 14 1 0; 14 15 1 0; 14 16 2 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 16 21 1 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 21 6 1 0; 27 22 1 0;M END Atm ['63940-51-2', '105314-53-2', '83015-26-3', '1027094-45-6'] C17H21NO 255.162314292 RDKit 2D;; 19 20 0 0 0 0 0 0 0 0999 V2000; 7.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 5 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 12 7 1 0; 19 14 1 0;M END Bar ['1187594-09-7'] C16H17N7O2S 371.11644378400007 RDKit 2D;; 26 29 0 0 0 0 0 0 0 0999 V2000; -12.0689 -2.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.9904 -0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.6538 0.1097 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -9.9729 -1.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -11.3348 1.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.3173 0.7906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.8907 0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4272 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8907 0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.3580 0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.7061 -0.6424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0006 1.2902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -4.7871 2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5736 1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1470 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.8351 3.2209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7062 2.6807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.0371 -0.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.5371 -0.1364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.8538 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 2 0; 3 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 3 0; 8 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 14 24 1 0; 24 25 2 0; 8 26 1 0; 26 6 1 0; 25 12 1 0; 23 15 1 0; 23 19 2 0;M END Bud ['51333-22-3', '51333-22-3', '51372-29-3', '51333-22-3', '51372-29-3', '51333-22-3', '51333-22-3', '1134189-63-1', '51333-22-3', '51333-22-3', '51333-22-3', '1105542-94-6', '51333-22-3', '51333-22-3', '51372-29-3', '51333-22-3', '51372-28-2', '51333-22-3', '51372-29-3', '51333-22-3', '51372-29-3', '51333-22-3'] C25H34O6 430.2355388079999 RDKit 2D;; 31 35 0 0 0 0 0 0 0 0999 V2000; -7.4687 -11.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5870 -9.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0952 -10.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -8.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.7135 -8.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7894 -5.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.6771 -5.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5937 -4.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0474 -6.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.2609 -5.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.6771 -7.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 20 21 1 0; 21 22 1 0; 21 23 1 0; 23 24 1 0; 24 25 1 0; 24 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 29 30 1 0; 26 31 1 0; 31 4 1 0; 26 6 1 0; 24 8 1 0; 20 9 1 0; 18 12 1 0;M END Can ['2142650-45-9', '1997338-61-0', '1415906-04-5', '1589590-87-3', '1028977-37-8', '842133-18-0', '928672-86-0'] C24H25FO5S 444.1406731200001 RDKit 2D;; 31 34 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7418 4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0537 5.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.2454 6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4022 7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7725 8.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.9293 9.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7158 10.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8726 12.2383 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.6546 10.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8113 8.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3601 5.2674 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 8 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 5 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 23 31 1 0; 18 2 1 0; 31 20 1 0; 15 6 1 0; 30 24 1 0;M END Cer ['1632484-77-5', '1032900-25-6'] C28H36ClN5O3S 557.222738692 RDKit 2D;; 38 41 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -7.7942 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -6.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -9.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 9 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 19 21 2 0; 19 22 1 0; 22 23 1 0; 22 24 1 0; 11 25 2 0; 4 26 2 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 28 30 1 0; 26 31 1 0; 31 32 2 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 36 37 1 0; 37 38 1 0; 32 2 1 0; 38 33 1 0; 25 6 1 0; 18 13 1 0;M END Clp ['120202-69-9', '113665-84-2', '90055-48-4', '94188-84-8'] C16H16ClNO2S 321.059027432 RDKit 2D;; 21 23 0 0 0 0 0 0 0 0999 V2000; -6.9177 4.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.4912 4.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3764 3.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.6883 2.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.9499 4.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6380 5.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2114 6.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.8995 7.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0143 8.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4408 8.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7527 6.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.1793 6.2320 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -1.8351 3.2209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7062 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2760 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1470 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 3 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 5 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 1 0; 11 6 1 0; 21 13 1 0; 20 16 2 0;M END Dol ['1357289-37-2', '1357289-29-2', '1309560-49-3', '1830380-29-4', '1051375-16-6', '1051375-16-6'] C20H19F2N3O5 419.12927714799997 RDKit 2D;; 30 33 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 9.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 15.5885 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 12.9904 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 21 22 1 0; 10 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 25 27 2 0; 27 28 1 0; 28 29 2 0; 28 30 1 0; 30 2 1 0; 30 6 1 0; 27 8 1 0; 21 15 1 0;M END Dul ['919514-01-5', '116539-60-7', '116817-13-1', '116539-58-3', '116539-59-4'] C18H19NOS 297.11873522800005 RDKit 2D;; 21 23 0 0 0 0 0 0 0 0999 V2000; -8.2500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5082 -5.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1963 -6.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4954 -7.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.6101 -6.5665 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 5 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 16 7 1 0; 21 17 1 0; 16 11 1 0;M END Eze ['1093659-90-5', '1593542-96-1', '1376614-99-1', '947332-80-1', '1593543-00-0', '1478664-02-6', '1478664-18-4', '1593543-07-7', '1093659-89-2', '1093659-90-5', '438624-68-1', '163380-16-3', '1228746-78-8', '439081-02-4', '163222-33-1'] C24H21F2NO3 409.148949972 RDKit 2D;; 30 33 0 0 0 0 0 0 0 0999 V2000; -1.9979 -6.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.6989 -6.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.1382 -7.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4373 -8.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4373 -10.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7363 -10.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.0353 -10.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.3344 -10.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.0353 -8.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7363 -7.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3107 -8.3323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.0607 -9.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5607 -9.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3107 -10.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5607 -12.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3107 -13.5285 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -1.0607 -12.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.3107 -10.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 2 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 6 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 11 13 1 0; 13 14 2 0; 3 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 19 21 1 0; 21 22 2 0; 15 23 1 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 27 28 1 0; 27 29 1 0; 29 30 2 0; 23 2 1 0; 30 24 1 0; 14 8 1 0; 22 16 1 0;M END Fex ['548783-71-7', '139965-10-9', '139965-11-0', '83799-24-0', '83799-24-0', '138452-21-8', '1319714-86-7'] C32H39NO4 501.287908728 RDKit 2D;; 37 40 0 0 0 0 0 0 0 0999 V2000; 3.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 1.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -13.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -16.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -15.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -14.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.7010 4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.7010 6.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.0000 7.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.2990 6.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.2990 4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 4 6 1 0; 2 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 11 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 20 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 2 0; 20 28 1 0; 28 29 2 0; 29 30 1 0; 30 31 2 0; 31 32 1 0; 32 33 2 0; 19 34 1 0; 34 35 1 0; 10 36 1 0; 36 37 2 0; 37 7 1 0; 35 16 1 0; 27 22 1 0; 33 28 1 0;M END Fin ['1346747-38-3', '1150659-35-0', '162359-55-9'] C19H33NO2 307.25112929600004 RDKit 2D;; 22 22 0 0 0 0 0 0 0 0999 V2000; 10.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -0.2010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5490 3.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 15 19 1 0; 19 20 1 0; 12 21 1 0; 21 22 2 0; 22 9 1 0;M END Irb ['1329496-43-6', '1242281-36-2', '1216883-23-6', '1185120-76-6', '138402-11-6', '138402-11-6'] C25H28N6O 428.23245951600006 RDKit 2D;; 32 36 0 0 0 0 0 0 0 0999 V2000; 1.4746 8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.4709 7.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.9345 6.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0692 5.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 3.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4874 2.4271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.8209 1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0344 0.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.8209 3.1771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0344 4.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.4047 3.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5615 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.9318 1.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.1454 2.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.5157 1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.6725 0.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.0428 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.2563 0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.0995 1.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.7292 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.5724 3.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2734 4.7418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 8.5852 6.2090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 10.0770 6.3658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 10.6871 4.9955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 6.9886 3.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.6183 4.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 7 12 1 0; 12 13 2 0; 12 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 17 18 1 0; 18 19 2 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 25 26 1 0; 26 27 1 0; 27 28 2 0; 28 29 1 0; 29 30 1 0; 19 31 1 0; 31 32 2 0; 14 5 1 0; 32 16 1 0; 11 7 1 0; 25 20 1 0; 30 26 2 0;M END Ket ['54048-10-1'] C22H28O2 324.208930136 RDKit 2D;; 24 27 0 0 0 0 0 0 0 0999 V2000; -4.9635 -9.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2135 -7.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4635 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.9408 -6.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.2500 -7.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0365 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4918 -5.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3735 -4.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 3 0; 2 3 1 0; 3 4 1 0; 3 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 2 0; 19 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 22 3 1 0; 22 7 1 0; 18 8 1 0; 17 11 1 0;M END Lum ['220991-20-8'] C15H13ClFNO2 293.061884556 RDKit 2D;; 20 21 0 0 0 0 0 0 0 0999 V2000; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 8 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 5 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 15 20 2 0; 20 2 1 0; 13 7 1 0;M END Mir ['1216678-68-0', '61364-37-2', '61337-87-9', '85650-52-8', '61337-67-5', '207516-99-2'] C17H19N3 265.157897608 RDKit 2D;; 20 23 0 0 0 0 0 0 0 0999 V2000; 4.9840 -5.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8844 -4.5123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 4.2182 -3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.1186 -2.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6852 -2.4718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6852 -2.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.3515 -3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5908 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4787 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1273 -6.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1121 -6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -4.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3515 -3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4510 -4.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 2 1 0; 19 5 1 0; 11 6 1 0; 18 13 1 0;M END Ola ['786686-79-1', '1093380-13-2', '132539-06-1'] C17H20N4S 312.14086764 RDKit 2D;; 22 25 0 0 0 0 0 0 0 0999 V2000; 2.3281 -7.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6772 -6.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.2013 -6.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -4.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3515 -3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.3880 -5.0184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; 1.6852 -2.4718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6852 -2.4718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.3515 -3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5242 -4.8694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.9205 -4.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0933 -5.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.8697 -6.7399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0424 -7.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.4734 -7.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.3006 -6.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 5 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 19 21 1 0; 21 22 1 0; 6 2 1 0; 13 8 1 0; 22 16 1 0; 15 4 1 0;M END Ome ['934293-92-2', '1261395-28-1', '922731-03-1', '922731-01-9', '934293-91-1', '119141-89-8', '119141-88-7', '119141-88-7', '326602-80-6', '73590-58-6', '119141-88-7', '73590-58-6', '161796-78-7', '119141-88-7', '668985-31-7'] C17H19N3O3S 345.11471246800005 RDKit 2D;; 24 26 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9672 0.3119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.1240 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.4231 2.5537 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -5.7221 1.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.4231 4.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7221 4.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7221 6.3037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -7.0211 7.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.3202 6.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.6192 7.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.3202 4.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.6192 4.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.6192 2.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.0211 4.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.0211 2.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.7537 2.4138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 2 0; 8 9 1 0; 9 10 2 0; 9 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 17 20 2 0; 20 21 1 0; 8 22 1 0; 22 23 1 0; 23 24 2 0; 24 3 1 0; 23 6 1 0; 20 12 1 0;M END Orl ['111466-61-6', '111466-62-7', '111466-63-8', '111466-61-6', '1356930-46-5', '1620409-08-6', '111466-62-7', '111466-63-8', '1225451-00-2', '111466-63-8', '104872-28-8', '104872-27-7', '111466-61-6', '111466-62-7', '111466-63-8', '130193-42-9', '111466-62-7', '96829-58-2', '104872-04-0'] C29H53NO5 495.39237379599996 RDKit 2D;; 35 35 0 0 0 0 0 0 0 0999 V2000; 16.0607 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 14.5607 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 13.8107 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 12.3107 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 11.5607 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 10.0607 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.3107 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.8107 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.0607 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.5607 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8107 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3107 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.0607 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5607 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 2.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 3.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2990 4.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 5.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5981 7.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.8971 7.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5607 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.3107 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8107 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.5607 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3107 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5607 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.3107 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0607 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0607 -5.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.3107 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1893 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 2 0; 16 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 1 0; 12 25 1 0; 25 26 1 0; 26 27 2 0; 26 28 1 0; 28 29 1 0; 29 30 1 0; 30 31 1 0; 30 32 1 0; 28 33 1 0; 33 34 1 0; 34 35 2 0; 18 14 1 0;M END Pan ['404950-80-7', '404950-80-7'] C21H23N3O2 349.179026976 RDKit 2D;; 26 28 0 0 0 0 0 0 0 0999 V2000; -0.0000 -5.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -3.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6401 -3.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9520 -4.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.3786 -5.1199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -4.6904 -6.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1170 -7.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.2317 -6.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.6583 -6.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.9702 -7.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.3968 -8.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.5115 -7.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.9381 -7.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.2499 -9.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.0528 -6.8974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -15.4794 -7.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -7.8555 -8.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4289 -8.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 3; 20 21 1 0; 21 22 2 0; 21 23 1 0; 23 24 1 0; 18 25 1 0; 25 26 2 0; 10 2 2 0; 26 15 1 0; 9 4 1 0;M END Pem ['357166-30-4', '182009-04-7', '137281-23-3', '1006872-74-7'] C20H21N5O6 427.14918339199994 RDKit 2D;; 31 33 0 0 0 0 0 0 0 0999 V2000; -0.0967 5.1517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7062 2.6807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2458 -1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.0890 -3.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.3025 -4.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.6729 -3.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.8864 -4.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7296 -5.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9431 -6.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.7863 -8.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.3134 -6.0401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -9.5270 -6.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.8973 -6.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.1108 -7.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.4811 -6.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -13.6379 -5.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -14.6947 -7.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -9.3702 -8.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.9999 -9.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.5837 -9.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.3593 -6.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.1458 -5.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1470 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5736 1.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.8351 3.2209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 2 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 2 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 14 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 20 22 1 0; 17 23 1 0; 23 24 2 0; 23 25 1 0; 13 26 1 0; 26 27 2 0; 7 28 1 0; 28 29 1 0; 29 30 2 0; 29 31 1 0; 31 2 1 0; 28 4 2 0; 27 10 1 0;M END Pio ['1259828-75-5', '959687-65-1', '959687-66-2', '1134163-31-7', '1134163-29-3', '111025-46-8', '105355-27-9', '105390-47-4'] C19H20N2O3S 356.1194635 RDKit 2D;; 25 27 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1101 9.1645 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -6.9954 10.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.1522 11.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.6963 9.4182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -6.0082 7.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.0045 6.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 2 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 2 0; 17 19 1 0; 19 20 1 0; 20 21 2 0; 13 22 1 0; 22 23 2 0; 6 24 1 0; 24 25 2 0; 25 3 1 0; 23 10 1 0; 20 15 1 0;M END Que ['1031703-35-1', '111974-69-7', '111974-72-2'] C21H25N3O2S 383.16674804 RDKit 2D;; 27 30 0 0 0 0 0 0 0 0999 V2000; 7.7172 -13.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.9408 -12.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.7681 -11.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.9916 -10.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.8189 -9.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0424 -7.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8697 -6.7399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.4734 -7.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.3006 -6.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.5242 -4.8694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.3515 -3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.6852 -2.4718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6852 -2.4718 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.3515 -3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5908 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.4787 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.1273 -6.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.1121 -6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -4.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.9205 -4.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.0933 -5.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 2 0; 23 24 1 0; 24 25 2 0; 10 26 1 0; 26 27 1 0; 27 7 1 0; 25 11 1 0; 18 13 1 0; 25 20 1 0;M END Rid ['572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0', '572924-54-0'] C53H84NO14P 989.562942998 RDKit 2D;; 69 72 0 0 0 0 0 0 0 0999 V2000; 9.2437 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.4244 -8.6519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.9266 -8.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.8454 -7.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.4441 -5.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.4700 -4.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.3617 -2.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0120 -2.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.9037 -0.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.7704 -3.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2059 -2.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.7415 -4.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.5763 -2.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.3496 -0.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2149 -1.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.6939 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2149 -1.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6939 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.5763 -2.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.7704 -3.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.8020 -2.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3747 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.2609 -2.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.2924 -1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8651 0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.8966 1.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.3555 0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -11.3870 1.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.9597 3.3749 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0; -12.3976 3.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.5219 2.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -10.5324 4.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -10.7828 -0.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -12.2417 -0.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -12.6690 -2.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -9.7513 -1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.7415 -4.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4441 -5.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.8376 -5.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.8454 -7.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.3257 -6.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.9266 -8.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.6840 -10.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -8.1293 -10.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.1287 -11.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.4540 -12.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.2870 -12.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.4302 -13.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -6.1609 -15.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1980 -13.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.1057 -14.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.9127 -14.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.5425 -15.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.4912 -14.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -15.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.0000 -16.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.4912 -14.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.9127 -14.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.1980 -13.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2870 -12.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.1287 -11.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.6840 -10.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.1293 -10.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 10 11 1 0; 10 12 1 0; 10 13 1 0; 13 14 2 0; 13 15 1 0; 15 16 2 0; 15 17 1 0; 17 18 1 0; 18 19 1 0; 19 20 1 0; 20 21 1 0; 21 22 1 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 27 29 1 0; 29 30 1 0; 30 31 1 0; 31 32 1 0; 32 33 1 0; 33 34 1 0; 34 35 1 0; 35 36 1 0; 35 37 1 0; 35 38 2 0; 33 39 1 0; 39 40 1 0; 40 41 1 0; 39 42 1 0; 26 43 1 0; 43 44 1 0; 44 45 2 0; 44 46 1 0; 46 47 1 0; 46 48 1 0; 48 49 2 0; 49 50 1 0; 49 51 1 0; 51 52 1 0; 51 53 1 0; 53 54 1 0; 54 55 1 0; 53 56 1 0; 56 57 2 0; 56 58 1 0; 58 59 1 0; 58 60 1 0; 60 61 1 0; 61 62 1 0; 61 63 1 0; 63 64 2 0; 64 65 1 0; 65 66 2 0; 66 67 1 0; 67 68 2 0; 68 69 1 0; 68 3 1 0; 12 5 1 0; 22 17 1 0; 42 30 1 0;M END Riv ['415973-05-6', '194930-04-6', '123441-03-2', '105601-20-5'] C14H22N2O2 250.168127944 RDKit 2D;; 18 18 0 0 0 0 0 0 0 0999 V2000; 7.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 3 5 1 0; 5 6 2 0; 5 7 1 0; 7 8 1 0; 8 9 2 0; 9 10 1 0; 10 11 2 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 13 15 1 0; 15 16 1 0; 15 17 1 0; 12 18 2 0; 18 8 1 0;M END Ros ['1242184-42-4', '1094100-06-7', '147098-20-2', '1094100-06-7', '1584149-34-7', '1007912-86-8', '887407-48-9', '1242184-42-4', '287714-41-4'] C22H28FN3O6S 481.1682848359999 RDKit 2D;; 33 34 0 0 0 0 0 0 0 0999 V2000; 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.5490 -3.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -2.0490 -4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 6.4952 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 8.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 9.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 2 4 1 0; 4 5 2 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 7 9 1 0; 9 10 1 0; 9 11 2 0; 9 12 2 0; 6 13 2 0; 13 14 1 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 18 20 1 0; 20 21 2 0; 14 22 2 0; 22 23 1 0; 23 24 2 3; 24 25 1 0; 25 26 1 0; 25 27 1 0; 27 28 1 0; 28 29 1 0; 28 30 1 0; 30 31 1 0; 31 32 2 0; 31 33 1 0; 22 4 1 0; 21 15 1 0;M END Tad ['960226-55-5', '629652-72-8', '171596-28-4', '171596-27-3', '171596-29-5', '1242099-07-5', '171488-03-2'] C22H19N3O4 389.13755608799994 RDKit 2D;; 29 34 0 0 0 0 0 0 0 0999 V2000; -5.6381 -7.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.2677 -6.9294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0542 -7.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.6839 -7.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4704 -8.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.5271 -5.7092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -2.7406 -4.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.5838 -3.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.2135 -2.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.0000 -3.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2135 -2.7256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.1568 -5.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.0567 -5.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.4271 -5.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.6406 -6.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.4838 -7.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.1135 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.8999 -7.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2703 -9.8460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7375 -10.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.4875 -8.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.1110 -5.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.3245 -4.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 0; 4 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 16 17 2 0; 10 18 1 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 2 0; 23 25 1 0; 25 26 1 0; 26 27 1 0; 7 28 1 0; 28 29 2 0; 28 2 1 0; 18 6 1 0; 24 19 1 0; 17 9 1 0; 27 22 1 0; 17 12 1 0;M END Ter ['91161-71-6', '91161-71-6', '78628-81-6'] C21H25N 291.1986998 RDKit 2D;; 22 23 0 0 0 0 0 0 0 0999 V2000; -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.5000 -10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.9510 -12.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.5490 -10.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 -12.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 2 3; 5 6 1 0; 6 7 3 0; 7 8 1 0; 8 9 1 0; 8 10 1 0; 8 11 1 0; 2 12 1 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 2 0; 20 21 1 0; 21 22 2 0; 22 13 1 0; 22 17 1 0;M END Tic ['2056269-94-2', '2096989-55-6', '2096989-56-7', '1265911-55-4', '274693-27-5'] C23H28F2N6O4S 522.186080816 RDKit 2D;; 36 40 0 0 0 0 0 0 0 0999 V2000; -3.4408 8.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7527 6.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.6380 5.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.9499 4.2246 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0; -1.8351 3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.4086 3.6844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7062 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.1328 3.1443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 2.4446 4.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.9811 6.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.4483 5.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.8749 6.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.9896 5.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.4162 5.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.7281 7.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 9.1547 7.5803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 6.6134 8.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.9252 9.5877 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0; 5.1868 7.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.2760 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.3943 -1.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -2.2458 -1.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.2458 -3.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.6724 -3.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1359 -5.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -5.6031 -5.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0667 -6.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -7.5339 -7.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -4.5541 -2.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0541 -2.3817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -3.6724 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -4.1359 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -2.1470 1.7537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 6 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 2 0; 13 14 1 0; 14 15 2 0; 15 16 1 0; 15 17 1 0; 17 18 1 0; 17 19 2 0; 7 20 2 0; 20 21 1 0; 21 22 2 0; 22 23 1 0; 23 24 1 0; 24 25 1 0; 25 26 1 0; 26 27 1 0; 27 28 1 0; 28 29 1 0; 29 30 1 0; 26 31 1 0; 31 32 1 0; 31 33 1 0; 33 34 1 0; 23 35 1 0; 35 36 2 0; 36 5 1 0; 11 9 1 0; 19 12 1 0; 35 20 1 0; 33 24 1 0;M END Val ['1089736-72-0', '1331908-02-1', '1089736-73-1', '137862-87-4', '137862-53-4', '137863-60-6', '943333-68-4'] C24H29N5O3 435.227039788 RDKit 2D;; 32 34 0 0 0 0 0 0 0 0999 V2000; 3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 3.7500 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5082 -2.7549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.1963 -4.2221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -2.4954 -4.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -3.6101 -3.9684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 1 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 2 0; 5 7 1 0; 7 8 1 0; 8 9 1 0; 9 10 2 0; 10 11 1 0; 11 12 2 0; 12 13 1 0; 13 14 2 0; 14 15 1 0; 15 16 2 0; 16 17 1 0; 17 18 2 0; 18 19 1 0; 19 20 1 0; 20 21 2 0; 21 22 1 0; 22 23 1 0; 12 24 1 0; 24 25 2 0; 7 26 1 0; 26 27 1 0; 27 28 2 0; 27 29 1 0; 26 30 1 0; 30 31 1 0; 30 32 1 0; 25 9 1 0; 18 13 1 0; 23 19 2 0;M END Vil ['1217546-82-1', '1044741-01-6', '1133208-42-0', '274901-16-5', '274901-16-5', '1044676-63-2', '274901-16-5', '1036959-27-9', '274901-16-5'] C17H25N3O2 303.19467704 RDKit 2D;; 22 25 0 0 0 0 0 0 0 0999 V2000; -2.7492 -4.4225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; -1.7455 -5.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7418 -6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.0537 -8.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.2454 -8.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.3601 -7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1.7010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 3.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 4.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0; 1 2 3 0; 2 3 1 0; 3 4 1 0; 4 5 1 0; 5 6 1 0; 6 7 1 0; 7 8 1 0; 8 9 2 0; 8 10 1 0; 10 11 1 0; 11 12 1 0; 12 13 1 0; 13 14 1 0; 14 15 1 0; 15 16 1 0; 16 17 1 0; 17 18 1 0; 18 19 1 0; 18 20 1 0; 18 21 1 0; 16 22 1 0; 7 3 1 0; 21 12 1 0; 22 12 1 0; 20 14 1 0;M END