HMDB0015587 RDKit 3D Cyproterone 53 57 0 0 0 0 0 0 0 0999 V2000 -5.2425 0.8191 1.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2433 0.6594 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3382 1.4399 -0.7789 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -0.4085 0.2275 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4077 -1.1555 1.3939 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 -1.2744 -1.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1305 -1.0466 -1.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -0.8495 -0.7640 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1782 -0.2616 -1.1385 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8692 -1.0146 -2.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1656 -1.0613 -2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0074 -1.9649 -3.5486 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0068 -0.3503 -1.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 -0.2543 -1.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1156 0.4549 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0753 1.1317 -0.8323 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6771 0.2765 0.9603 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0732 -1.0879 1.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2159 0.0873 1.1159 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3878 0.2839 -0.1015 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2524 1.7922 -0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0013 -0.2851 0.1247 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3552 0.3260 1.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0801 -0.0267 1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8189 0.1077 0.1909 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7735 1.5278 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7751 0.5297 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1049 0.1408 1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6435 1.8445 1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3942 -1.3206 1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 -2.3283 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2739 -0.9720 -1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2473 -0.2280 -2.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -2.0147 -2.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9757 -1.7902 -0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 0.7695 -1.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -1.5684 -2.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7490 -0.7000 -2.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3012 0.7493 1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2724 -1.4729 2.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0769 -1.8522 0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 0.5516 2.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1941 2.2402 0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4629 2.0731 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2082 2.1988 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1663 -1.3781 0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4682 1.4225 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8966 -0.0819 2.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1187 -1.1202 1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5009 0.6125 2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7795 2.0080 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4626 2.1098 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0908 1.7119 -1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 1 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 6 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 6 25 4 1 0 25 8 1 0 22 9 1 0 20 13 1 0 19 17 1 0 1 27 1 0 1 28 1 0 1 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 1 9 36 1 6 10 37 1 0 14 38 1 0 17 39 1 1 18 40 1 0 18 41 1 0 19 42 1 1 21 43 1 0 21 44 1 0 21 45 1 0 22 46 1 1 23 47 1 0 23 48 1 0 24 49 1 0 24 50 1 0 26 51 1 0 26 52 1 0 26 53 1 0 M END