HMDB0005031 RDKit 3D Rosiglitazone 44 46 0 0 0 0 0 0 0 0999 V2000 -3.5601 -1.5718 -1.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 -0.6297 -0.5996 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 -0.2330 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6533 0.6091 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 1.1129 -0.6285 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7562 0.6064 -0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0775 -0.7270 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 -1.2010 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 -0.2743 0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -0.7901 0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5013 -0.8179 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1392 -1.4622 -0.0394 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9497 0.1368 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1485 0.3167 0.5529 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8972 1.0687 0.0096 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9102 0.5918 -0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3697 1.1867 -1.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 1.0882 0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7838 1.5069 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8450 -0.0659 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8722 -0.8144 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0653 -0.2026 0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2407 1.1587 0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1961 1.8717 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0525 1.2736 -0.3248 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3817 -1.0733 -2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 -2.2945 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4874 -2.1863 -1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6174 0.4234 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7826 -1.0863 0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4793 -0.1118 -1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3575 1.3548 -1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 -1.4720 -0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 -2.2535 0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -1.8006 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1278 -0.1543 1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 -1.3550 -1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8508 2.0173 0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8377 1.7846 0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5701 2.5620 0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7704 -1.8960 0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8853 -0.8074 1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1588 1.6657 0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2527 2.9450 -0.1082 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 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 2 0 9 18 1 0 18 19 2 0 2 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 19 6 1 0 25 20 1 0 16 11 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 7 33 1 0 8 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 15 38 1 0 18 39 1 0 19 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 24 44 1 0 M END