HMDB0255929 RDKit 3D Olaparib 55 59 0 0 0 0 0 0 0 0999 V2000 0.6759 1.4981 1.5334 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8288 0.5769 0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1806 0.3740 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2623 -0.4538 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2344 -0.6460 -1.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3537 -1.6019 -0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2726 -1.0931 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0991 -1.4677 1.5127 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8459 -1.0238 2.5008 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -0.1602 2.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6701 0.3458 3.3103 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0736 0.2562 1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0923 1.1362 0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3547 1.5620 -0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5645 1.0849 -1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5317 0.2031 -1.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2842 -0.2110 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0885 0.0238 -2.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0121 0.8785 -2.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 1.0267 -1.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 1.8491 -1.7231 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -0.2392 0.7938 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1753 -1.3276 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -1.0413 -0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5143 -0.6876 0.1112 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7416 -0.1273 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0004 0.0785 -1.5308 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8387 0.2779 0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4701 1.6550 0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2271 0.4056 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 -0.9251 1.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9968 -0.0497 1.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -0.9825 0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8733 -1.9113 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8711 -2.5162 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6148 -0.0095 3.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6877 1.4824 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1674 2.2567 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7201 1.3827 -2.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9148 -0.1955 -2.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8352 -0.1226 -3.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9408 1.3823 -3.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4057 -1.3132 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2921 -2.2869 0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7715 -1.9243 -1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3779 -0.1934 -1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7275 0.1553 1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0621 2.1634 -0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7694 2.3131 1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0357 0.1399 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3724 -0.0558 -0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.6930 2.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8835 -2.0058 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3632 1.0010 1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.2437 2.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 5 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 2 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 25 31 1 0 31 32 1 0 20 3 1 0 32 22 1 0 17 7 1 0 30 28 1 0 17 12 1 0 4 33 1 0 6 34 1 0 6 35 1 0 11 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 18 41 1 0 19 42 1 0 23 43 1 0 23 44 1 0 24 45 1 0 24 46 1 0 28 47 1 0 29 48 1 0 29 49 1 0 30 50 1 0 30 51 1 0 31 52 1 0 31 53 1 0 32 54 1 0 32 55 1 0 M END