HMDB0002180 RDKit 3D 5b-Cholestane-3a,7a,12a,25,26-pentol 80 83 0 0 0 0 0 0 0 0999 V2000 2.7396 -0.4961 -1.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5165 -0.2779 -0.1257 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4526 -1.2419 0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 -1.0170 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3987 0.3361 0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8602 0.5352 0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 -0.4457 1.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 1.8068 0.8917 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1838 0.6606 -1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9634 -0.4619 -1.8918 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1573 -0.5868 0.3770 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1459 -0.2955 1.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1917 0.3886 2.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9918 0.0069 0.9898 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1770 0.8031 0.6227 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9400 -0.1251 -0.3210 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0906 -0.6245 -1.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 -0.4643 -1.3709 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0655 -1.7449 -1.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 0.1413 -0.1696 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3362 1.6072 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2561 0.4639 -0.7628 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0934 1.6561 -1.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9823 -0.5997 -1.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3934 -1.7770 -0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3624 -1.3853 0.3659 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0395 -1.9889 1.6012 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4267 0.1011 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 0.7774 0.4560 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3771 0.5222 1.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 1.2744 1.7409 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5078 1.1596 2.9966 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6654 -1.5535 -1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8153 -0.2088 -1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 0.1263 -2.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8864 0.7311 0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3201 -1.1227 1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1837 -2.2756 0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4550 -1.7445 0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1836 -1.2792 -0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2474 0.6128 1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8652 1.1344 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6980 -1.4674 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4014 -0.4549 2.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7905 -0.0838 1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9861 2.5267 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6952 1.5720 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2859 0.8874 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6808 -1.1244 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9844 -1.6854 0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9941 0.3545 2.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2308 -1.2686 2.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5327 -0.0718 3.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0746 1.4522 2.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -1.1038 1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9327 1.6927 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2197 -0.9956 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4694 -0.1035 -2.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4022 -1.6946 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2488 0.1227 -2.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2457 -1.9670 -2.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1427 2.2343 0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3771 1.7825 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3302 2.0135 -1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1422 1.3256 -2.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1538 2.1923 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9254 2.4023 -1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3714 -0.9941 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9083 -0.1939 -2.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9552 -2.4647 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5414 -2.3843 -0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4124 -1.7449 0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6068 -1.5454 2.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0170 0.4601 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9807 0.4124 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3005 1.8872 0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9770 1.0179 2.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2722 -0.5204 2.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3408 2.3578 1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 2.0464 3.4651 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 9 10 1 0 2 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 18 19 1 0 18 20 1 0 20 21 1 6 16 22 1 0 22 23 1 6 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 20 11 1 0 29 22 1 0 20 14 1 0 31 15 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 1 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 7 43 1 0 7 44 1 0 7 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 11 50 1 1 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 14 55 1 1 15 56 1 6 16 57 1 1 17 58 1 0 17 59 1 0 18 60 1 6 19 61 1 0 21 62 1 0 21 63 1 0 21 64 1 0 23 65 1 0 23 66 1 0 23 67 1 0 24 68 1 0 24 69 1 0 25 70 1 0 25 71 1 0 26 72 1 6 27 73 1 0 28 74 1 0 28 75 1 0 29 76 1 6 30 77 1 0 30 78 1 0 31 79 1 6 32 80 1 0 M END