HMDB0014972 RDKit 3D Mifepristone 67 71 0 0 0 0 0 0 0 0999 V2000 -4.7382 0.8616 3.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1309 1.3590 2.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6519 1.7792 1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1016 2.3047 -0.1550 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9994 3.7092 -0.1344 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9682 1.9760 -1.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1425 1.0211 -2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2155 0.4679 -1.2166 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0342 -0.2925 -1.6628 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2539 -1.2719 -2.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 -2.5952 -2.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -3.0694 -1.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5752 -4.3716 -1.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2473 -4.8398 -0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -5.7142 -0.2994 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0288 -4.1978 1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1605 -2.6929 1.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3994 -2.1880 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4824 -0.8600 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 0.1142 0.6266 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3817 0.3327 0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1261 0.9115 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4938 1.1221 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1669 0.7317 0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5677 0.9287 0.9883 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1039 2.0543 1.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4529 -0.0132 0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4442 0.1481 1.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 -0.0415 1.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8762 1.3945 0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 1.7010 -0.5127 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1209 2.7431 -1.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7606 0.4469 3.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0752 0.1166 3.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9034 1.7238 4.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9773 3.9871 0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8256 1.3688 -0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2653 2.8350 -1.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7765 0.2067 -2.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6886 1.5260 -3.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -0.1057 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 0.4048 -2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9437 -0.8279 -3.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -1.4448 -3.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6742 -3.3241 -3.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -2.5655 -2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9361 -5.0162 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6767 -4.6195 1.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0475 -4.4861 1.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 -2.5743 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 -2.2769 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3669 -0.3601 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6531 1.2493 -1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0399 1.5890 -1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0674 1.7053 2.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 2.9042 0.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4328 2.4587 2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2493 0.0368 -0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2696 -1.0592 0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5214 0.2845 0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0136 -0.1551 2.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5568 -0.4995 2.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1247 2.2173 0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5077 1.5216 1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 3.4724 -1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 3.3668 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4503 2.3806 -2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 3 0 4 3 1 1 4 5 1 0 4 6 1 0 6 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 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 1 0 24 28 1 0 28 29 2 0 20 30 1 0 30 31 1 0 31 32 1 6 31 4 1 0 31 8 1 0 19 9 1 0 29 21 1 0 18 12 1 0 1 33 1 0 1 34 1 0 1 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 1 9 42 1 6 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 13 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 20 52 1 1 22 53 1 0 23 54 1 0 26 55 1 0 26 56 1 0 26 57 1 0 27 58 1 0 27 59 1 0 27 60 1 0 28 61 1 0 29 62 1 0 30 63 1 0 30 64 1 0 32 65 1 0 32 66 1 0 32 67 1 0 M END