HMDB0060982 RDKit 3D hydroxytorsemide 45 46 0 0 0 0 0 0 0 0999 V2000 6.1689 0.8978 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1278 -0.2084 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -1.5361 0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4957 -0.1600 -0.9151 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 0.5017 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8374 0.5319 -2.4226 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8204 1.2411 -0.1283 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1226 1.4463 0.0176 S 0 0 0 0 0 6 0 0 0 0 0 0 0.7687 2.3666 1.1268 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 2.0571 -1.2618 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3421 -0.0970 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0855 -1.2479 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4845 -2.4556 0.4147 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 -2.5495 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6395 -1.4300 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0267 -0.1828 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7142 0.8845 0.3388 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1122 0.9640 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6843 1.5789 1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0578 1.6526 1.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8514 1.1034 0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2944 0.4816 -0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2135 -0.0853 -1.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5588 -0.6799 -2.4753 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9292 0.4298 -0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7395 1.7984 -0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0539 0.5191 -0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4383 1.0514 1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3607 -0.0439 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 -2.2154 1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7108 -1.3235 1.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1295 -2.0107 -0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7575 1.3409 -3.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4332 1.6833 0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1507 -1.2559 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 -3.3343 0.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2974 -3.5338 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7073 -1.5256 0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0396 2.0116 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 2.1309 2.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9232 1.1621 0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7983 -0.8907 -0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9687 0.6495 -1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4549 -1.6581 -2.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4967 -0.0597 -1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 3 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 2 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 3 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 2 0 16 11 1 0 25 18 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 6 33 1 0 7 34 1 0 12 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 23 42 1 0 23 43 1 0 24 44 1 0 25 45 1 0 M END