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R11301/amons-vitd/frag_61_c00001.sdf
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frag_61_c00001.sdf
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RDKit 3D
23 22 0 0 0 0 0 0 0 0999 V2000
1.2326 1.3005 0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4734 0.4044 0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3821 2.2746 -0.8753 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6548 1.0909 1.2725 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8055 2.0568 1.5638 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8437 0.1390 1.4518 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1037 2.3316 0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8210 -0.0116 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9459 1.8334 -1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8623 3.2274 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3336 1.3839 2.2819 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1577 2.5474 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7069 1.3797 2.4192 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5236 2.8478 1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5593 -0.7589 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6518 0.6348 2.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4357 3.1846 0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0796 2.6491 0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1623 2.1528 -0.5683 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4122 0.6048 0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1623 -0.4505 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3986 2.5493 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2568 -0.1720 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 5 1 0
2 4 1 0
4 6 1 0
4 7 1 0
1 20 1 0
2 8 1 0
2 21 1 0
3 9 1 0
3 10 1 0
3 22 1 0
4 11 1 0
5 12 1 0
5 13 1 0
5 14 1 0
6 15 1 0
6 16 1 0
6 23 1 0
7 17 1 0
7 18 1 0
7 19 1 0
M END
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