HMDB0061030 RDKit 3D omega-hydroxyfinasteride 61 64 0 0 0 0 0 0 0 0999 V2000 5.9047 0.0284 1.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3902 0.8365 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1411 2.2388 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4152 0.8684 -0.7315 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2127 0.1885 -0.2754 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 0.7516 -0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 2.1285 -0.6661 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0119 -0.0411 -1.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2727 -1.5331 -1.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9211 -2.1917 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -1.0430 -0.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3326 -1.3181 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2709 -1.8352 -1.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 -1.6220 -1.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 -0.2172 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1125 0.4296 -0.6853 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6458 1.2292 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8664 1.8387 -0.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 1.4457 1.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8391 0.7896 1.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2624 -0.1608 0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6263 -1.5497 1.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7491 -0.1596 0.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2956 1.1824 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0169 1.3078 -0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7913 0.0435 -0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2029 -0.2505 1.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6404 0.6315 1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 -0.2488 2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4431 -0.8755 1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 2.5259 1.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 2.9445 -0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2395 2.3047 1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 0.4112 -1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 2.5989 -1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7199 0.1808 -2.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8868 -1.7791 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8314 -1.9092 -1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7517 -2.8149 -1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -2.8636 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1871 -0.7152 -1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -2.1803 0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1278 -2.9472 -1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 -1.3618 -2.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1977 -1.6346 -2.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2537 -2.3915 -0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1558 0.3700 -1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9713 2.7636 -0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4213 2.1496 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3821 1.0215 2.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4289 -1.4495 2.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7067 -1.6324 1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 -2.3365 1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3804 -0.3690 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0562 1.7693 -0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 1.8006 1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5347 2.2156 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 1.3848 -1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3278 -0.2122 1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 0.5383 1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9281 -1.2748 1.5116 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 2 5 1 0 5 6 2 3 6 7 1 0 6 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 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 8 1 0 26 11 1 0 23 12 1 0 21 15 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 18 48 1 0 19 49 1 0 20 50 1 0 22 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 24 55 1 0 24 56 1 0 25 57 1 0 25 58 1 0 27 59 1 0 27 60 1 0 27 61 1 0 M END