HMDB0060408 RDKit 3D 5alpha-Pregnan-20alpha-ol-3-one 57 60 0 0 0 0 0 0 0 0999 V2000 5.5789 0.1059 1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4334 -0.4529 0.1519 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5909 0.1865 -1.1007 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1619 -0.0241 0.8160 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1798 1.5129 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 1.8835 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 0.8134 0.3409 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1923 0.6281 -0.4413 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9813 1.8447 -0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 2.0089 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0632 0.7930 0.2250 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4571 0.8616 -0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1869 -0.3707 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 -0.3136 0.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5284 -1.6774 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1087 -1.6070 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3626 -0.4973 -0.1732 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4825 -0.8063 -1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9861 -0.4238 0.3469 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2461 -1.7064 0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1605 -1.5458 0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9043 -0.4454 0.1557 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0304 -0.8395 -1.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9488 1.0733 0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 0.3191 2.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 -0.5947 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 -1.5298 0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1312 0.9902 -1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1842 -0.4261 1.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9257 1.8110 1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1048 1.9260 0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 2.8714 0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2775 1.9017 -1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 0.8938 1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0812 0.1203 -1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3288 2.7372 -0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1712 1.9409 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8902 2.7387 -0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0419 2.5685 0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2294 0.6913 1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 1.1427 -1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 1.6993 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5685 -2.1887 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0966 -2.3004 0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6409 -2.5902 0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1137 -1.3045 1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -0.4930 -2.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4612 -1.9304 -1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6832 -0.4274 -2.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 -0.0004 1.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3743 -2.2779 -0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7682 -2.3365 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7061 -2.5006 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 -1.4240 1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0745 -0.0169 -1.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -1.5625 -1.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9652 -1.4498 -1.4207 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 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 1 0 17 18 1 6 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 6 22 4 1 0 22 7 1 0 19 8 1 0 17 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 6 3 28 1 0 4 29 1 1 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 1 8 35 1 6 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 1 12 41 1 0 12 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 18 47 1 0 18 48 1 0 18 49 1 0 19 50 1 1 20 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 23 55 1 0 23 56 1 0 23 57 1 0 M END