HMDB0012458 RDKit 3D 7alpha-Hydroxy-3-oxo-4-cholestenoate 73 76 0 0 0 0 0 0 0 0999 V2000 7.6839 0.8430 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8139 -0.3611 -0.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3377 -0.0317 -0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9228 0.9411 0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4978 1.3179 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5229 0.1696 0.3252 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7428 -0.5060 1.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1731 0.6707 0.0159 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1501 1.1837 -1.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2116 0.7740 -1.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9803 0.5470 -0.7506 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2955 -0.0927 -0.8541 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9315 0.0457 0.5380 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0441 -0.8139 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6546 -0.2650 1.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0186 -0.2396 0.1208 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1777 -1.5774 -0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3559 -0.3896 0.5548 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3735 -1.8881 0.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0297 0.2824 1.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4912 -0.0860 1.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1372 0.2832 0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3286 0.6835 0.5278 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3852 0.1855 -0.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0903 -0.1263 -0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 -0.1958 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1154 0.5719 -1.9036 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4410 1.8894 -1.6043 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 -1.0552 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8347 -0.6145 1.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2951 -2.1957 0.8373 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 0.4711 -1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 1.4403 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3916 1.4210 -1.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0467 -1.1069 -1.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1555 0.3300 -1.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8054 -1.0017 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5052 1.8879 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2858 0.6196 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 1.9763 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2054 1.9571 -0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8128 -0.5643 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -1.4897 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8202 -0.6116 1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 0.1295 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 1.5673 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2245 2.2811 -1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9724 0.7622 -2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 1.6401 -2.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1441 -0.0589 -2.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0961 1.5259 -0.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2889 -1.1813 -1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7755 1.0986 0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4677 -0.7612 2.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 -1.8437 1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0946 -0.8079 2.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7223 0.7920 1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 -2.3824 0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2419 -1.8347 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 -1.6959 -1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4125 -2.2591 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9798 -2.0606 1.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8246 -2.4501 0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4587 -0.0183 2.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9115 1.3782 1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5885 -1.1583 2.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9175 0.4925 2.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8989 0.3745 -1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0762 0.2064 -2.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 -1.2723 -2.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 0.5695 -2.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9464 2.2502 -0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9939 -2.4150 1.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 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 16 17 1 6 13 18 1 0 18 19 1 1 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 2 29 1 0 29 30 2 0 29 31 1 0 16 8 1 0 25 18 1 0 16 11 1 0 27 12 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 6 7 43 1 0 7 44 1 0 7 45 1 0 8 46 1 1 9 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 11 51 1 1 12 52 1 6 13 53 1 1 14 54 1 0 14 55 1 0 15 56 1 0 15 57 1 0 17 58 1 0 17 59 1 0 17 60 1 0 19 61 1 0 19 62 1 0 19 63 1 0 20 64 1 0 20 65 1 0 21 66 1 0 21 67 1 0 24 68 1 0 26 69 1 0 26 70 1 0 27 71 1 6 28 72 1 0 31 73 1 0 M END