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R11301/amons-vitd/frag_043_c00001.sdf
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frag_043_c00001.sdf
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RDKit 3D
18 17 0 0 0 0 0 0 0 0999 V2000
1.2161 1.3064 0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2472 0.1866 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4125 -0.9164 0.9639 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1571 0.7262 -0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8217 2.0632 1.5631 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2989 0.1596 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5713 -0.2347 -1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0835 -1.8230 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0268 -0.6150 1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1710 2.5278 1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8063 1.4203 2.4537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5374 2.8660 1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3181 -0.7699 0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.8782 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3017 2.0105 -0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4898 -1.1607 1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2108 1.6532 -0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2557 0.6039 -0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 5 1 0
2 3 1 0
2 4 1 0
4 6 2 3
1 14 1 0
1 15 1 0
2 7 1 0
3 8 1 0
3 9 1 0
3 16 1 0
4 17 1 0
5 10 1 0
5 11 1 0
5 12 1 0
6 13 1 0
6 18 1 0
M END
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