HMDB0000546 RDKit 3D Epietiocholanolone 51 54 0 0 0 0 0 0 0 0999 V2000 2.7805 -0.4679 1.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 0.5893 0.4532 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1058 1.8485 0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6323 1.7166 0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 0.8912 -0.1805 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8198 -0.3710 -0.4961 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1362 -1.1943 -1.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1738 -1.6952 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5468 -1.0085 0.3227 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9827 -1.3228 0.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9564 -0.8362 -0.3692 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2434 -0.9305 0.2094 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7334 0.6066 -0.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 0.9505 -0.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 0.4914 0.1569 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8768 1.1244 1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 0.0971 -0.8591 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1407 -0.9611 -1.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5084 -0.4362 -0.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2034 0.7807 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 1.6545 0.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7754 -1.5051 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -0.3977 2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9742 -0.3100 2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4665 2.1376 1.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 2.6665 0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 1.3765 1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1955 2.7549 0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0527 1.4925 -1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -0.9462 0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 -0.6174 -2.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7974 -2.0464 -1.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 -2.7679 -0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9558 -1.4704 -1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9492 -1.3692 1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0579 -2.4471 0.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1959 -0.9838 1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 -1.5270 -1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1273 -0.6108 1.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2863 1.2919 -0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2399 0.7328 -1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2288 2.0776 -0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9886 0.6250 -1.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9814 1.0340 1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6358 2.1942 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5139 0.5432 2.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 0.9660 -1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9205 -1.9505 -0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1655 -1.0276 -2.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1690 -0.2181 -1.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9383 -1.2245 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 1 6 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 17 2 1 0 20 2 1 0 15 5 1 0 15 9 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 6 6 30 1 1 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 1 10 36 1 0 10 37 1 0 11 38 1 6 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 16 44 1 0 16 45 1 0 16 46 1 0 17 47 1 6 18 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 M END