HMDB0015579 RDKit 3D Quinestrol 59 63 0 0 0 0 0 0 0 0999 V2000 -6.0119 -0.3581 2.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5613 0.1695 1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0187 0.8184 -0.0303 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5657 2.0981 -0.1898 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3472 0.0548 -1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9873 -0.3571 -1.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1922 -0.4741 -0.6762 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7370 -0.5479 -0.7590 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1244 -1.3758 -1.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2118 -1.9947 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -1.1694 -0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 -0.9152 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9052 -0.1598 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2551 0.1228 0.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 -0.2737 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4211 -0.9204 0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2946 0.1938 0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7351 1.4588 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8065 0.9991 -1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1173 0.3292 1.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7704 0.0941 1.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1382 -0.6507 0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2884 -0.9930 0.6471 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1626 -0.4815 1.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9344 0.7670 1.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5332 0.8333 0.0539 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9849 2.0304 -0.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3983 -0.8100 3.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5816 2.5993 0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8226 -0.8961 -0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9384 0.6422 -2.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0736 -1.3593 -2.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6307 0.3376 -2.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6108 -1.2778 -0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 0.4933 -0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 -0.7323 -2.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8044 -2.1789 -2.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8888 -2.1220 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 -2.9889 -0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8214 -1.3248 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8068 -0.8961 -1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9603 -1.4331 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1935 -1.6851 0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3382 0.2343 1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3458 0.1068 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5281 2.0961 -0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1595 2.0207 0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 0.8135 -1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 1.7410 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6036 0.9316 2.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 0.4939 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3409 -2.1215 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9493 -1.2679 1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6757 -0.3267 2.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2613 1.6359 1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7593 0.8595 2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1148 2.4725 -0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6186 1.8162 -1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 2.8283 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 3 2 1 1 3 4 1 0 3 5 1 0 5 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 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 13 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 6 26 3 1 0 26 7 1 0 23 8 1 0 22 11 1 0 19 15 1 0 1 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 1 8 35 1 6 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 12 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 21 51 1 0 23 52 1 6 24 53 1 0 24 54 1 0 25 55 1 0 25 56 1 0 27 57 1 0 27 58 1 0 27 59 1 0 M END