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R11301/amons-vitd/frag_031_c00001.sdf
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frag_031_c00001.sdf
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RDKit 3D
16 15 0 0 0 0 0 0 0 0999 V2000
-3.6149 0.6955 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7726 0.1215 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0961 0.7536 -0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8037 -1.1439 0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7138 -2.2204 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0632 -1.3402 1.9642 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5965 1.6328 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9721 1.7533 -0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7119 0.8615 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5118 -2.4106 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5752 -3.1679 0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0929 -2.2798 2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4155 -0.5661 2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6541 0.2414 -0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6442 0.1485 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7647 -1.9335 0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
2 4 1 0
4 5 1 0
4 6 2 3
1 7 1 0
1 14 1 0
3 8 1 0
3 9 1 0
3 15 1 0
5 10 1 0
5 11 1 0
5 16 1 0
6 12 1 0
6 13 1 0
M END
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