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R11301/amons-vitd/g9/frag_80_c00013.sdf
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frag_80_c00013.sdf
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RDKit 3D
23 22 0 0 0 0 0 0 0 0999 V2000
1.2320 1.2865 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4774 0.4085 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6424 1.0795 1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8534 0.1397 1.4572 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4376 -0.4592 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5897 -1.4392 0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2202 -1.9851 -0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8040 0.0513 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3118 1.4305 2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5562 -0.6792 2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6418 0.6953 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7842 0.3551 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6621 -0.9987 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2275 -2.2828 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3710 -0.9406 1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0333 -2.6777 -0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4613 0.7071 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4920 2.1521 -0.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8158 1.6456 1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1630 -0.4739 1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9593 1.9632 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6295 -1.1700 -1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4760 -2.5211 -1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
1 17 1 0
1 18 1 0
1 19 1 0
2 8 1 0
2 20 1 0
3 9 1 0
3 21 1 0
4 10 1 0
4 11 1 0
5 12 1 0
5 13 1 0
6 14 1 0
6 15 1 0
7 16 1 0
7 22 1 0
7 23 1 0
M END
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