HMDB0001993 RDKit 3D 7a-Hydroxy-cholestene-3-one 73 76 0 0 0 0 0 0 0 0999 V2000 6.7965 2.0760 -0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 0.9376 -0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7602 0.0231 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3018 0.2958 -1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3864 -0.8460 -1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1929 -0.4076 -0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3536 -1.5977 -0.0838 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1473 -2.7021 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0773 -1.4546 0.6354 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2234 -0.8933 2.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3173 0.3481 1.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8106 -0.2357 1.1872 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8819 0.6479 0.6997 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9352 -0.2942 0.1137 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3893 -1.2197 -0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0677 -1.8281 -0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0813 -0.8316 -0.0286 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1648 0.2074 -1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1605 0.3884 -0.3686 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0061 0.7391 -1.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2902 -0.6446 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6201 -0.0705 -0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6883 1.4066 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5576 2.0367 -1.2472 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7301 2.1049 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5128 1.6108 0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5421 2.3259 1.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5965 1.3446 1.8705 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2892 0.4463 2.6457 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2225 2.7821 -1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1661 2.6671 0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 1.6803 -1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1206 1.4224 0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8259 0.3443 0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4108 0.0306 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7607 -1.0195 0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0848 -0.0458 -2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7299 1.0867 -2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9491 -1.6526 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9477 -1.1801 -2.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 0.4325 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6463 0.0310 0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1331 -2.0578 -1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4187 -3.4728 0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8115 -3.2315 -0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6652 -2.3205 1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7361 -2.5358 0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2347 -0.6540 2.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 -1.5230 2.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 1.1650 1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0681 0.7158 2.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -1.0457 1.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 1.4483 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2419 -0.9296 0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4464 -0.7698 -1.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -2.0903 -0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -2.2295 -1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1568 -2.6940 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5188 1.1744 -0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8372 0.4029 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7432 -0.2455 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0259 1.1793 -2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7491 1.5544 -2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 -0.1076 -2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0574 -1.5101 -0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3582 -1.0644 0.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4130 -0.4764 0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8856 -0.4341 -1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0230 3.0189 0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8987 2.9417 0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0466 2.9781 1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 1.9581 2.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8031 0.3624 3.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 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 0 17 18 1 6 14 19 1 0 19 20 1 6 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 17 9 1 0 26 19 1 0 17 12 1 0 28 13 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 6 8 44 1 0 8 45 1 0 8 46 1 0 9 47 1 1 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 1 13 53 1 6 14 54 1 1 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 18 59 1 0 18 60 1 0 18 61 1 0 20 62 1 0 20 63 1 0 20 64 1 0 21 65 1 0 21 66 1 0 22 67 1 0 22 68 1 0 25 69 1 0 27 70 1 0 27 71 1 0 28 72 1 1 29 73 1 0 M END