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R11301/amons-vitd/g9/i-raw/frag_75_c00015_raw.sdf
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frag_75_c00015_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
3.6419 1.0789 1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 0.1405 1.4560 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
5.4379 -0.4595 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5887 -1.4392 0.4214 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
3.3366 1.3901 2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5673 -0.6812 2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6488 0.6833 1.9838 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
5.7807 0.3615 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6498 -0.9869 -0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2326 -2.2734 1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3673 -0.9309 1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5110 0.5007 0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3457 1.9966 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9339 1.8387 1.2008 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
7.0405 -1.8297 -0.5024 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
3 5 1 0
4 6 1 0
6 7 1 0
1 19 1 0
1 20 1 0
1 21 1 0
2 8 1 0
2 22 1 0
3 9 1 0
4 10 1 0
4 11 1 0
5 12 1 0
5 13 1 0
5 14 1 0
6 15 1 0
6 16 1 0
7 17 1 0
7 18 1 0
7 23 1 0
M END
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