HMDB0253725 RDKit 3D (5alpha,17beta)-17-Benzoyl-4-azaandrost-1-en-3-one 59 63 0 0 0 0 0 0 0 0999 V2000 3.8372 0.0452 2.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2545 0.1159 0.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2245 -0.5885 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2589 0.0224 -0.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 1.4445 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4330 2.0836 -0.9879 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 2.1048 0.3759 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1719 1.5792 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 1.8197 -0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 0.6524 -1.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 0.1099 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9416 -0.5998 0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2217 -0.7594 1.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2998 -0.7146 1.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 -1.2802 0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7348 -2.8227 0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2077 -0.9743 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7174 0.3688 0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0203 1.3414 0.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1436 0.5978 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6876 1.8678 0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 2.1414 0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8891 1.1018 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3975 -0.1811 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0393 -0.4168 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2995 -1.2217 -1.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0207 -0.5063 -1.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0242 -0.8961 -0.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4004 0.8152 2.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9151 0.2922 2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7861 -0.9719 2.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1305 -1.6595 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9596 -0.5151 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8351 2.9259 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5914 2.0909 1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8744 2.6769 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 2.1077 -1.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3844 -0.1201 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0619 1.0495 -2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 0.9826 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0899 -1.6335 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4863 0.1133 2.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5716 -1.6621 2.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6971 0.2607 2.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6478 -1.4076 2.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2204 -3.1836 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 -3.0978 1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5523 -3.3021 0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9004 -1.7519 0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0328 2.7125 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4246 3.1394 0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9347 1.2658 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0839 -0.9994 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7231 -1.4318 -0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1357 -0.6502 -1.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2922 -2.2889 -1.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1847 0.5604 -1.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -0.9360 -2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5441 -1.8167 -1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 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 15 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 17 26 1 0 26 27 1 0 27 28 1 0 8 2 1 0 28 11 1 0 12 2 1 0 28 15 1 0 25 20 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 4 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 16 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 21 50 1 0 22 51 1 0 23 52 1 0 24 53 1 0 25 54 1 0 26 55 1 0 26 56 1 0 27 57 1 0 27 58 1 0 28 59 1 0 M END