HMDB0259292 RDKit 3D troglitazone 58 61 0 0 0 0 0 0 0 0999 V2000 -7.0533 1.3571 -1.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9107 0.5210 -0.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6345 1.0401 -0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 2.4302 -1.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5377 0.3138 -0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 -0.9712 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0495 -1.4931 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3146 -2.8794 0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1379 -0.7598 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4470 -1.2602 -0.4073 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6638 -1.8379 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3096 -1.2661 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2805 0.2550 0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 0.6047 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1312 0.6696 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9769 0.0029 0.7586 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3472 0.0934 0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0947 0.8473 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 0.8677 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 0.1427 0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6254 0.1923 1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3014 -0.8498 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1130 -0.6184 0.4762 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3986 0.3538 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5069 0.8197 -1.3977 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1149 0.4575 -1.6194 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2259 -0.5559 -1.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 -1.1755 -1.9945 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4023 -0.6240 1.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 -0.6405 1.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2459 0.8565 -0.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9929 1.5147 -2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0144 0.8357 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0864 2.3310 -0.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 2.4612 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2372 2.6656 -2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3446 3.1446 -0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7746 -3.5028 -0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0388 -2.8294 1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3847 -3.3438 0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6654 -2.1792 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7332 -2.7975 -0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 -2.1524 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 -1.5501 -0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 -1.6435 0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5486 0.6221 1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 1.5706 1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9302 -0.1704 2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3663 0.4220 -1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2367 1.7693 -0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5556 1.4218 -0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0631 1.4634 -0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 1.1838 0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9777 0.0470 2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0081 -1.8758 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 1.2192 -2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9071 -1.2171 2.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -1.2585 2.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 6 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 2 0 20 29 1 0 29 30 2 0 13 31 1 0 9 2 1 0 30 17 1 0 31 5 1 0 27 22 1 0 1 32 1 0 1 33 1 0 1 34 1 0 4 35 1 0 4 36 1 0 4 37 1 0 8 38 1 0 8 39 1 0 8 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 14 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 18 51 1 0 19 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 26 56 1 0 29 57 1 0 30 58 1 0 M END