HMDB0039822 RDKit 3D Stigmastane-3,6-dione 79 82 0 0 0 0 0 0 0 0999 V2000 -6.7015 -2.4918 1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3367 -1.9033 0.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3716 -0.4684 0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9457 0.1108 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -0.5381 -0.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 0.0011 -1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 -0.9005 -2.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7721 -0.1379 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9868 0.4632 1.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4003 0.8448 1.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2764 0.2377 0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6976 0.4877 0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 1.8689 0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 1.7469 1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 2.2820 2.2734 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4962 0.9488 0.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 0.4046 1.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5227 -0.5027 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6908 -0.2884 0.2822 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7991 -1.6963 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3438 -1.4844 0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8369 -0.1339 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3415 -0.0704 -1.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -0.1588 -0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7633 0.4155 -1.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2561 0.1705 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5185 0.6221 -0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1415 2.0804 -0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2199 0.0198 -0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6890 -0.2008 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0158 1.5242 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0970 -3.0624 0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4482 -1.7706 1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6415 -3.2612 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7578 -2.0323 1.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7726 -2.5274 0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7238 0.0632 1.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4584 0.0305 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 1.1962 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2226 -1.6586 -0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8885 -0.3692 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9963 0.9973 -1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9608 -1.7604 -1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 -1.3190 -2.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9124 -0.3231 -3.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4515 -1.1837 0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3323 -0.3423 1.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6195 1.3296 1.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5021 1.9186 1.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 0.3229 2.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1353 -0.8839 0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0983 -0.0994 1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 2.4659 1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2212 2.4392 -0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0128 1.6812 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2002 1.2169 1.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 -0.1936 2.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9772 -1.8223 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1342 -2.5582 0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0638 -1.6620 1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7804 -2.2481 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0416 -0.9976 -2.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4617 0.0495 -1.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 0.8488 -2.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0041 -1.2300 -0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 1.4707 -1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -0.1432 -2.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9313 0.8264 -2.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1357 -0.8610 -1.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3421 2.4132 -1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9139 2.2421 -0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7283 2.7378 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8738 -0.4582 -1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1439 0.2289 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1327 0.4968 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0680 -1.1772 -0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1545 1.7494 -1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8666 1.9924 0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9516 1.9742 -1.1492 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 8 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 2 0 14 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 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 3 29 1 0 29 30 1 0 29 31 1 0 27 8 1 0 27 11 1 0 24 12 1 0 22 16 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 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 10 50 1 0 11 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 16 55 1 0 17 56 1 0 17 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 23 62 1 0 23 63 1 0 23 64 1 0 24 65 1 0 25 66 1 0 25 67 1 0 26 68 1 0 26 69 1 0 28 70 1 0 28 71 1 0 28 72 1 0 29 73 1 0 30 74 1 0 30 75 1 0 30 76 1 0 31 77 1 0 31 78 1 0 31 79 1 0 M END