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R11301/amons-vitd/frag_090_c00002.sdf
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frag_090_c00002.sdf
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RDKit 3D
22 21 0 0 0 0 0 0 0 0999 V2000
1.2317 1.2561 0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4925 0.4287 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1979 0.1927 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1603 0.7430 -0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8191 2.0558 1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2983 0.1524 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6022 0.7064 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7435 0.1239 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7757 -0.1452 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5518 -0.3125 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0699 2.6783 1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5895 1.3820 2.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6248 2.7272 1.8862 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2603 -0.7787 0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6495 1.6437 -0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4071 1.9722 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3322 -0.2938 1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3300 1.0592 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1518 -0.5857 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1931 1.6628 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7014 0.5780 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7575 -0.8125 0.6857 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
3 4 1 0
4 6 2 0
6 7 1 0
7 8 2 0
1 16 1 0
2 9 1 0
2 17 1 0
2 18 1 0
3 10 1 0
3 19 1 0
4 20 1 0
5 11 1 0
5 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
8 21 1 0
8 22 1 0
M END
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