HMDB0000520 RDKit 3D 5a-Cholestane-3a,7a,12a,25-tetrol 79 82 0 0 0 0 0 0 0 0999 V2000 3.1019 2.1571 -2.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3857 1.6551 -0.8336 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4224 1.4221 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5112 0.4507 -0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5095 0.3615 1.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6048 -0.6355 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5605 -0.6963 1.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0106 -1.9982 0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2261 -0.1484 -0.4703 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3347 0.7355 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5744 -0.5299 -1.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2996 -1.3842 -1.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 -0.4342 -1.0255 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7578 -0.9000 -0.2554 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4622 0.3741 0.2388 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6105 1.0493 1.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3123 1.4442 0.5817 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4884 2.5506 -0.2435 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3636 0.3050 -0.0851 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0279 -0.5749 0.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8553 0.0641 0.6422 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0154 -1.0626 1.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5067 1.3197 1.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9637 1.1847 1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6583 0.0684 0.7621 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9634 0.5268 0.4526 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0488 -0.4390 -0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6026 -0.1726 -0.6788 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8997 -1.1432 -1.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -1.8116 -0.9665 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0734 -2.5170 -2.0185 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9442 2.8188 -1.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3969 2.7869 -2.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3932 1.3166 -2.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8496 2.6436 -0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0653 1.2041 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9578 2.4215 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 0.7383 -1.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -0.5932 -0.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9372 1.3325 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9363 -0.0769 1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3418 0.1011 2.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5953 -0.6042 1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4175 -1.6769 2.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6405 -2.0501 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1394 -2.2085 1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7933 -2.7571 0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8354 0.5994 -0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6177 1.3231 -1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3826 -1.1732 -1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7296 -0.3098 -2.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 -2.2691 -1.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -1.7144 -2.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9167 0.3731 -1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 -1.4112 0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 1.0335 -0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4713 0.5054 2.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1096 2.0224 1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3609 1.7928 1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9677 2.3432 -1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.8753 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1227 -0.0031 1.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 -1.4798 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4451 -0.6825 2.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -1.5628 1.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7193 -1.8539 1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 1.6556 2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3451 2.1084 0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1469 1.0698 2.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4527 2.1774 1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8507 -0.7790 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4329 -0.0726 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1909 -1.5591 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6117 -0.0738 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5245 0.8326 -1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -0.7169 -2.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6371 -1.9532 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0696 -2.6126 -0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6651 -3.3526 -1.6790 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 6 9 1 0 2 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 0 17 19 1 0 19 20 1 1 15 21 1 0 21 22 1 1 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 19 10 1 0 28 21 1 0 19 13 1 0 30 14 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 1 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 7 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 6 14 55 1 1 15 56 1 6 16 57 1 0 16 58 1 0 17 59 1 1 18 60 1 0 20 61 1 0 20 62 1 0 20 63 1 0 22 64 1 0 22 65 1 0 22 66 1 0 23 67 1 0 23 68 1 0 24 69 1 0 24 70 1 0 25 71 1 1 26 72 1 0 27 73 1 0 27 74 1 0 28 75 1 6 29 76 1 0 29 77 1 0 30 78 1 1 31 79 1 0 M END