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R11301/amons-vitd/frag_071_c00002.sdf
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frag_071_c00002.sdf
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RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.2315 1.2627 0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4726 0.4064 0.5536 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2177 0.1909 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9285 -0.8154 1.3113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4409 -0.8967 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6377 1.0916 1.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0895 2.3282 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8454 0.0590 -0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4469 -0.2102 -1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4584 -1.7269 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0534 -0.7155 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1493 -1.8923 0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1639 -0.6823 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3522 1.3676 2.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3061 3.1000 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9731 2.7602 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3386 2.0902 -0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3727 2.0034 -0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9104 1.8080 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8104 0.5531 -0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4831 0.3829 1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
2 4 1 0
2 6 1 0
3 5 1 0
4 5 1 0
6 7 1 0
1 18 1 0
1 19 1 0
2 8 1 0
3 9 1 0
3 20 1 0
4 10 1 0
4 11 1 0
5 12 1 0
5 13 1 0
6 14 1 0
6 21 1 0
7 15 1 0
7 16 1 0
7 17 1 0
M END
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