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R11301/amons-vitd/g9/frag_61_c00003.sdf
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frag_61_c00003.sdf
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RDKit 3D
23 22 0 0 0 0 0 0 0 0999 V2000
1.2348 1.2569 0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4923 0.4116 0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1982 0.1988 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3805 2.2765 -0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6509 1.0958 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8433 0.1402 1.4532 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1002 2.3327 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8419 -0.0045 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5398 -0.3813 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9884 1.8615 -1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8368 3.2274 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3127 1.3891 2.2747 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5600 -0.7576 2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6513 0.6365 2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4185 3.1723 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0732 2.6599 0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1675 2.1555 -0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8932 1.7945 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2034 -0.4579 1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0439 -0.5217 0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7529 0.6351 -0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4090 2.5425 -1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2562 -0.1721 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 4 1 0
2 5 1 0
5 6 1 0
5 7 1 0
1 18 1 0
2 8 1 0
2 19 1 0
3 9 1 0
3 20 1 0
3 21 1 0
4 10 1 0
4 11 1 0
4 22 1 0
5 12 1 0
6 13 1 0
6 14 1 0
6 23 1 0
7 15 1 0
7 16 1 0
7 17 1 0
M END
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