HMDB0059604 RDKit 3D 5-beta-Cholestan-3-one 74 77 0 0 0 0 0 0 0 0999 V2000 6.9165 0.4486 1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7115 -0.4641 1.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5145 0.1422 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6795 -0.7915 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6016 -1.6512 -0.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 -1.2198 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8514 0.0338 -1.3569 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0992 -0.1081 -2.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 0.5918 -0.8976 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2567 1.8741 -1.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2082 2.1173 -1.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6274 1.0465 -0.6293 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0488 0.7108 -0.5593 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8188 1.9824 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2718 1.7079 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5842 0.2276 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0282 0.0233 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2815 -0.2764 1.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3073 -0.8581 2.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2991 0.1313 2.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 0.1235 2.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6472 -0.4889 0.9840 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0516 -1.9453 0.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2288 -0.2555 0.6245 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4441 -1.4707 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0271 -1.0908 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3153 -0.1327 -0.9455 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0685 -0.6461 -2.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7808 0.1042 0.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 0.4185 2.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6446 1.4596 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9509 -1.3884 1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8784 -0.6156 2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8748 0.7940 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 0.8128 1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8247 0.1624 -0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6517 -1.3414 -0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7956 -2.0402 -1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6622 -2.6122 -0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 -2.0400 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 -1.1080 0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6523 0.7801 -1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1064 -0.5887 -2.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2524 0.8971 -3.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4039 -0.6878 -3.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6895 0.9990 0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 1.7289 -2.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 2.6789 -1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 3.1047 -1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7569 2.1608 -2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3027 1.3523 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5201 0.2426 -1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7104 2.6137 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 2.5167 0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6146 2.1727 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9023 2.1354 -0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4569 -0.2204 -1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4813 -0.8252 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6031 0.9236 0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4078 -0.4841 3.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 1.1847 3.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -0.4324 3.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4191 1.1503 2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1526 -2.2667 2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3663 -2.5782 0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0662 -2.0942 0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6481 0.2454 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5018 -2.1887 1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7296 -1.9300 -0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5859 -2.0135 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2435 -0.5426 1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1601 0.0971 -3.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1529 -0.8485 -2.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -1.6504 -2.5064 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 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 6 27 9 1 0 27 12 1 0 24 13 1 0 22 16 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 1 8 43 1 0 8 44 1 0 8 45 1 0 9 46 1 1 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 1 13 52 1 6 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 17 58 1 0 17 59 1 0 20 60 1 0 20 61 1 0 21 62 1 0 21 63 1 0 23 64 1 0 23 65 1 0 23 66 1 0 24 67 1 1 25 68 1 0 25 69 1 0 26 70 1 0 26 71 1 0 28 72 1 0 28 73 1 0 28 74 1 0 M END