HMDB0255109 RDKit 3D N-Demethyl Mifepristone 64 68 0 0 0 0 0 0 0 0999 V2000 -5.1980 -4.5403 1.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2144 -3.7372 0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4024 -3.0970 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 -2.3406 -0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5148 -3.2312 -1.3209 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0678 -1.4575 -1.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5521 -0.3194 -0.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3679 0.0019 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4548 1.0406 -0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2319 2.3040 -0.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2747 3.4512 -1.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 3.4932 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2446 4.6177 0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 4.5991 1.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4615 5.3109 2.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8327 3.7001 1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5884 2.3538 1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3482 2.2748 0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2161 1.1409 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4695 -0.1201 0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8509 -0.2422 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2311 0.0634 -1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5556 -0.1119 -1.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5001 -0.5785 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8699 -0.7546 -1.2224 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8422 -1.2489 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1286 -0.8881 0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8041 -0.7172 0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2867 -1.2537 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 -1.3054 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8186 -1.7728 1.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7188 -4.8642 2.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1213 -3.9655 1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4749 -5.4013 0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9282 -4.0854 -1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -1.1222 -2.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9290 -1.9920 -2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9523 0.5262 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3555 -0.7072 -0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7203 0.4263 0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 0.7435 -1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 2.3053 -1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7048 2.5011 0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 4.3537 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7454 3.2045 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 5.5191 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2162 3.5661 2.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6304 4.2690 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5607 1.5863 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4956 2.1149 0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4171 -0.2502 1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 0.4253 -2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8585 0.1289 -2.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1311 -0.5179 -2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7603 -1.5071 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0797 -0.5053 0.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4419 -2.1651 0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8563 -1.2610 1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5228 -0.9646 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2506 -1.0107 -1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2523 -2.2159 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2562 -1.1338 2.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3978 -2.7945 1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8996 -1.8412 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 3 0 3 4 1 0 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 24 27 1 0 27 28 2 0 20 29 1 0 29 30 1 0 30 31 1 0 30 4 1 0 30 8 1 0 19 9 1 0 28 21 1 0 18 12 1 0 1 32 1 0 1 33 1 0 1 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 13 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 20 51 1 0 22 52 1 0 23 53 1 0 25 54 1 0 26 55 1 0 26 56 1 0 26 57 1 0 27 58 1 0 28 59 1 0 29 60 1 0 29 61 1 0 31 62 1 0 31 63 1 0 31 64 1 0 M END