HMDB0247752 RDKit 3D Abiraterone 57 61 0 0 0 0 0 0 0 0999 V2000 -2.6656 -0.5244 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3334 -0.0426 0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 1.3938 0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2441 1.3687 1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0464 0.6272 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4223 0.7019 0.2744 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6087 -0.7989 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1272 -0.7596 -0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6226 -1.3093 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1534 -1.2870 -1.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -0.1582 -1.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -0.2879 0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 0.5694 1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4398 0.1949 1.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8385 -0.4034 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9122 -1.9105 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1283 0.0378 -0.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3893 0.4017 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6248 0.2984 1.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8599 0.6819 1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8617 1.1694 1.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6283 1.2678 -0.3046 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4595 0.9089 -0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0009 0.0771 -2.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6137 -0.3366 -2.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8931 0.1101 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5414 0.3198 2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6966 -0.9059 2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9993 -1.3689 2.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8512 1.7970 -0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2448 2.0502 1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6532 2.4221 1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3411 1.0210 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8941 1.1502 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9235 0.7718 -0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1040 -1.1451 -1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9070 -1.4827 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2693 -1.8095 -2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 -2.2888 -1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0837 -1.1142 -2.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0929 0.7598 -1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7056 -1.3526 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1919 1.6516 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 0.4045 2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6891 -0.5134 1.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 1.1210 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9891 -2.2568 -0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4811 -2.4347 -0.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 -2.2784 0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9163 -0.0805 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0282 0.5943 2.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8083 1.4590 1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3806 1.0341 -1.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7244 0.3500 -2.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 0.2928 -3.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5538 -1.3922 -2.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0838 1.2338 -1.1971 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 5 7 1 0 7 8 1 0 8 9 2 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 15 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 17 24 2 0 24 25 1 0 25 26 1 0 8 2 1 0 26 11 1 0 12 2 1 0 26 15 1 0 23 18 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 7 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 16 47 1 0 16 48 1 0 16 49 1 0 19 50 1 0 20 51 1 0 21 52 1 0 23 53 1 0 24 54 1 0 25 55 1 0 25 56 1 0 26 57 1 0 M END