HMDB0001984 RDKit 3D Finasteride 63 66 0 0 0 0 0 0 0 0999 V2000 5.4193 1.2246 1.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4692 0.4338 0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6528 0.9378 -0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6771 -1.0290 0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2824 0.5887 -0.3062 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9826 0.2356 0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 -0.2450 1.2948 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7776 0.3994 -0.6736 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8063 -0.3780 -1.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 -0.7787 -2.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4123 -0.0658 -1.2081 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7560 -0.6040 -0.8963 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6349 -0.4039 -2.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1018 -0.4492 -1.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 0.4836 -0.7074 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8341 0.6829 -0.5085 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2642 1.3424 0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3641 1.9498 0.7425 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3419 1.2722 1.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1845 0.6282 1.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7189 -0.0533 0.5392 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0232 -1.5270 0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2754 0.2362 0.2837 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3794 0.2065 1.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 0.6504 1.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -0.1723 -0.0073 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8063 -1.5769 0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8476 0.6579 2.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4758 1.2788 2.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0845 2.2566 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0456 0.1495 -1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5018 1.1534 0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4027 1.7989 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7383 -1.0965 1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4411 -1.7229 0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0516 -1.1757 1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3532 0.9842 -1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 1.4850 -0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1865 0.2434 -2.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4316 -1.2811 -1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0596 -0.4246 -3.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2326 -1.8745 -2.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4754 0.9955 -1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7531 -1.6851 -0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 -1.2348 -2.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 0.5524 -2.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 -1.4543 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5953 -0.0150 -2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9359 1.4636 -0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5405 0.3627 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6416 1.7581 2.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5923 0.6230 2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1434 -1.5979 0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6267 -2.1746 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6608 -1.8926 1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2387 1.2935 -0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -0.7509 2.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7383 0.9884 2.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 0.4799 2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 1.7273 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 -1.6432 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8153 -1.9097 0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -2.3078 0.1025 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 1 0 6 7 2 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 1 0 17 18 2 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 1 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 1 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 4 35 1 0 4 36 1 0 5 37 1 0 8 38 1 6 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 6 12 44 1 1 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 6 16 50 1 0 19 51 1 0 20 52 1 0 22 53 1 0 22 54 1 0 22 55 1 0 23 56 1 6 24 57 1 0 24 58 1 0 25 59 1 0 25 60 1 0 27 61 1 0 27 62 1 0 27 63 1 0 M END