HMDB0060584 RDKit 3D Abiraterone sulfate 61 65 0 0 0 0 0 0 0 0999 V2000 -2.1330 0.1405 -1.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 0.1728 -0.4486 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5603 1.3524 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0641 1.1916 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5134 -0.0897 0.3279 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2870 -1.2970 -0.1209 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2847 -2.4767 0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -2.3477 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5199 -1.3689 0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9235 -1.4000 1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6294 -0.0829 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6184 0.1302 1.7928 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0509 0.4449 0.9632 S 0 0 0 0 0 6 0 0 0 0 0 0 8.1722 -0.3723 1.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9268 -0.0190 -0.4767 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4062 2.0711 0.9255 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6003 1.0423 1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 0.9622 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9008 -0.2888 -0.2354 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8839 -0.8134 -1.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7037 -1.0848 0.1781 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6400 -2.0567 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9218 -1.3365 -0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6893 -0.0015 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7895 0.9043 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0842 0.4193 0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0984 1.2701 0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8805 2.6082 0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6523 3.0860 0.6116 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6328 2.2485 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2139 -0.3023 -2.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0645 -0.2526 -2.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0913 1.2284 -2.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7645 2.2698 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7692 1.6155 1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2149 1.3890 -1.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 1.9957 0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5976 -0.1543 1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -1.5563 -1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 -2.5433 1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0547 -3.4337 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 -3.1640 1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9509 -1.6635 2.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5226 -2.1832 0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0061 0.0021 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9193 2.6094 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0161 0.9408 1.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1516 2.0080 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 0.9085 -1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 1.8725 -0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7998 -1.9270 -1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1813 -0.2924 -2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9064 -0.6072 -2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 -1.0654 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6169 -3.0608 -0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3886 -1.9883 -1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8229 -1.8916 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2927 -0.6379 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1229 0.8966 0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7329 3.2479 1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6807 2.7308 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 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 2 0 13 15 2 0 13 16 1 0 11 17 1 0 17 18 1 0 18 19 1 0 19 20 1 6 6 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 21 2 1 0 30 25 1 0 24 2 1 0 19 5 1 0 19 9 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 1 6 39 1 6 7 40 1 0 7 41 1 0 8 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 20 51 1 0 20 52 1 0 20 53 1 0 21 54 1 1 22 55 1 0 22 56 1 0 23 57 1 0 26 58 1 0 27 59 1 0 28 60 1 0 30 61 1 0 M END