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R11301/amons-vitd/frag_039_c00002.sdf
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frag_039_c00002.sdf
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RDKit 3D
16 15 0 0 0 0 0 0 0 0999 V2000
0.2153 0.1807 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1527 0.7399 -0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2971 0.1544 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6009 0.7062 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7483 0.1250 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0945 0.7044 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7355 0.0032 -1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2609 -0.7843 0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6345 1.6361 -0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0139 1.6328 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6501 0.9207 0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8018 0.8950 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1750 -0.7645 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1799 1.6789 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7420 -0.8073 0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6695 -0.0159 -0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
1 7 1 0
1 12 1 0
1 13 1 0
2 14 1 0
3 8 1 0
4 9 1 0
5 15 1 0
6 10 1 0
6 11 1 0
6 16 1 0
M END
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