HMDB0000577 RDKit 3D 5beta-Coprostanol 76 79 0 0 0 0 0 0 0 0999 V2000 4.2381 1.5204 1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 0.4909 0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5642 0.8998 1.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9761 -0.8933 1.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 -1.6545 0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4331 -1.9868 -0.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0704 -0.9500 -1.5840 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8394 -1.7195 -2.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -0.0527 -1.2697 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7539 0.9887 -2.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4162 1.6128 -2.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0627 0.8910 -0.8744 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5184 0.9042 -0.6712 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8449 2.2706 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1221 2.1295 0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0563 1.1362 0.1099 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4292 1.2020 0.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3877 0.8584 2.2075 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7114 0.5481 2.5714 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4529 -0.2890 2.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0897 -1.0800 1.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4754 -0.2743 0.1583 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8723 -0.9373 -1.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9923 -0.1274 0.2913 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2769 -1.4318 0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 -1.2618 0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5695 -0.5024 -1.0945 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1238 -1.1078 -2.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3237 1.0637 1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6824 2.2688 1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8957 2.1045 0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4308 0.5689 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 0.1347 1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2803 1.0069 2.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7963 1.8981 1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0622 -0.9243 2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8940 -1.4878 0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 -2.6280 1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 -1.1770 1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -2.5170 -0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7258 -2.8604 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9623 -0.3439 -1.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9472 -1.0987 -3.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7303 -2.4226 -2.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9819 -2.3708 -2.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2097 0.5777 -0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 0.4510 -3.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5799 1.7290 -2.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3011 1.5241 -2.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5995 2.6970 -1.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4398 1.3678 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1131 0.9557 -1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0153 3.0423 -0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0079 2.5707 0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6772 3.1112 0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9418 1.9315 1.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1686 1.4561 -0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7833 2.2359 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1172 0.5506 0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0758 1.7613 2.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1821 0.0693 1.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0267 -0.9953 3.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 -0.0190 3.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0428 -1.5453 0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4605 -1.9184 1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 -0.9606 -1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5506 -0.3853 -2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4668 -1.9740 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 0.2665 1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5687 -2.1012 -0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4686 -1.9836 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 -2.2910 0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5409 -0.7437 1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1975 -0.7439 -2.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2852 -2.2248 -2.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2355 -0.8108 -3.2403 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 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 6 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 6 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 6 17 58 1 0 17 59 1 0 18 60 1 1 19 61 1 0 20 62 1 0 20 63 1 0 21 64 1 0 21 65 1 0 23 66 1 0 23 67 1 0 23 68 1 0 24 69 1 1 25 70 1 0 25 71 1 0 26 72 1 0 26 73 1 0 28 74 1 0 28 75 1 0 28 76 1 0 M END