HMDB0254662 RDKit 3D Methylprednisolone hemisuccinate 68 71 0 0 0 0 0 0 0 0999 V2000 -5.0395 0.4799 2.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3495 -0.6436 1.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8647 -0.5280 1.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1163 0.3030 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5498 0.2248 -0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7488 -0.8318 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -1.0855 -2.4648 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2993 -0.3785 -1.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2039 0.3359 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3048 1.8136 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6841 -0.0877 1.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0507 0.5720 2.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5064 0.3414 1.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4923 -0.2532 0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2281 -1.6510 0.5672 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -0.0219 -0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3023 -1.0251 -0.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3181 1.2687 -0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 1.0912 -1.3577 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6308 0.4212 -0.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 -0.0379 0.3501 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9103 0.2528 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9275 -0.5059 -0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1721 -0.6592 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2785 -0.1917 -2.6935 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2545 -1.3274 -0.9978 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0258 0.1418 -0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5675 1.5585 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3777 -0.0981 -2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1884 -1.0442 -2.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7864 -1.9323 -1.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5677 -2.8475 -1.8512 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4552 -1.7304 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6507 -0.7933 0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0211 0.2624 3.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6018 1.4658 2.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1444 0.4908 2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6465 -1.5773 2.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6948 -0.0823 2.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4371 -1.5560 1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 1.3836 1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 1.1962 -0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8444 -1.7714 -0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 -0.4050 -3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3131 -1.3082 -1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1448 0.2118 -2.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 2.2564 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 2.2158 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5938 2.2357 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -1.1828 1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1831 0.0641 3.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 1.6399 2.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0181 1.3052 1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 -0.4357 2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8955 -2.1237 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5131 1.9476 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 1.8335 -1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2585 1.2472 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6518 -0.3810 -2.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4848 -1.4851 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1012 0.0454 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4113 -1.4047 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 2.1346 -1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 2.1621 0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5445 1.5252 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9451 0.5455 -2.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4028 -1.1556 -3.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9333 -2.4306 0.6073 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 6 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 5 27 1 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 2 0 34 2 1 0 11 4 1 0 34 27 1 0 14 9 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 10 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 15 55 1 0 18 56 1 0 18 57 1 0 22 58 1 0 22 59 1 0 23 60 1 0 23 61 1 0 26 62 1 0 28 63 1 0 28 64 1 0 28 65 1 0 29 66 1 0 30 67 1 0 33 68 1 0 M END