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R11301/amons-vitd/g9/i-raw/frag_74_c00002_raw.sdf
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frag_74_c00002_raw.sdf
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RDKit 3D
23 22 0 0 0 0 0 0 0 0999 V2000
1.2287 1.2867 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4804 0.4095 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2181 0.1800 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3933 2.2852 -0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6419 1.0789 1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8131 2.0650 1.5717 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0843 2.3316 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8229 0.0562 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5449 -0.2659 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2575 2.0329 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5625 3.3008 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3366 1.3901 2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1478 2.5726 1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7166 1.4121 2.4449 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5372 2.8425 1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3861 3.1612 0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0352 2.7014 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2485 2.1368 -0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0885 -0.4651 1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3733 -0.5967 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7844 0.5890 -0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5236 2.3228 -1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5056 0.4100 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 4 1 0
1 6 1 0
2 5 1 0
5 7 1 0
2 8 1 0
2 19 1 0
3 9 1 0
3 20 1 0
3 21 1 0
4 10 1 0
4 11 1 0
4 22 1 0
5 12 1 0
5 23 1 0
6 13 1 0
6 14 1 0
6 15 1 0
7 16 1 0
7 17 1 0
7 18 1 0
M END
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