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R11301/amons-vitd/g9/i-raw/frag_22_c00004_raw.sdf
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frag_22_c00004_raw.sdf
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RDKit 3D
13 12 0 0 0 0 0 0 0 0999 V2000
0.2181 0.1800 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1547 0.7401 -0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2980 0.1554 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6009 0.7067 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7457 0.1218 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5449 -0.2659 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2037 -0.8114 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6756 1.6448 -0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9358 0.9660 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3733 -0.5967 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1631 1.6878 -0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7284 0.5471 -0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7728 -0.8251 0.6944 H 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
1 6 1 0
1 9 1 0
1 10 1 0
2 11 1 0
3 7 1 0
4 8 1 0
5 12 1 0
5 13 1 0
M END
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