HMDB0015094 RDKit 3D Methylprednisolone 57 60 0 0 0 0 0 0 0 0999 V2000 3.2529 2.9760 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6059 1.8874 0.4370 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1289 1.9584 0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3556 0.7217 0.5930 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9500 0.8066 -0.1275 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9057 1.8411 0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2297 1.3642 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9229 0.0392 -0.9063 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3155 0.3809 -2.1494 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0281 -0.8710 -1.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2598 -1.1689 -2.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9123 -1.4910 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8938 -2.2446 -0.8097 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8003 -0.4478 -0.0121 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3377 -0.6348 1.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0453 -1.5886 -0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2596 -1.7516 0.1549 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1275 -2.1634 1.4569 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0651 -0.4871 0.0564 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4812 -0.6173 0.5509 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6019 -0.5628 2.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 -1.8827 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1204 -1.9440 -0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7718 -0.7490 -1.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 -0.7838 -1.8815 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2485 0.5389 -0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1872 0.5835 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1717 2.7752 -1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6203 3.8960 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2916 3.1941 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 2.1253 1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7454 2.8680 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9707 2.0785 -0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2232 0.7179 1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7514 0.9624 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6249 2.8164 -0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9675 1.9338 1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5814 2.1101 -1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9668 1.3565 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 1.2596 -2.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4574 -0.7106 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4102 -2.1797 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3611 -2.8641 -0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 -0.0570 2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3744 -0.2836 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 -1.7193 1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6427 -2.5238 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8195 -1.3905 -1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -2.5224 -0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2379 -1.3840 2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1678 -0.2934 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5729 -1.5779 2.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 -0.2262 2.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9814 0.1846 2.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -2.8110 0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 -2.9176 -0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6933 1.4734 -1.0921 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 1 0 7 8 1 0 8 9 1 6 8 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 8 14 1 0 14 15 1 1 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 1 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 2 0 27 2 1 0 19 4 1 0 27 20 1 0 14 5 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 1 3 32 1 0 3 33 1 0 4 34 1 1 5 35 1 6 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 9 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 15 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 6 18 50 1 0 19 51 1 6 21 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 23 56 1 0 26 57 1 0 M END