HMDB0006031 RDKit 3D 11-Ketoetiocholanolone 50 53 0 0 0 0 0 0 0 0999 V2000 3.1348 -1.2504 -1.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9445 -0.7197 0.0807 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2956 -1.6730 1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8197 -1.7002 0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1974 -2.7421 0.9114 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0899 -0.4111 0.7861 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7838 0.2931 -0.3891 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0243 1.4348 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4104 1.1174 -1.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 -0.3090 -0.7920 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2298 -0.5274 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0499 0.3472 -0.0261 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4633 1.4521 -0.8124 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4543 0.7914 1.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9897 0.6854 1.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 -0.4979 0.6473 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0174 -1.7212 1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1357 0.5807 0.1053 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9889 1.5072 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4036 1.1156 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 -0.1794 0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0345 -0.6158 1.3523 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -1.9198 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2961 -1.8717 -1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -0.4219 -1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5471 -1.3517 2.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7499 -2.6806 0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3446 0.1596 1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8253 -0.5010 -1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1808 2.3977 -0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4858 1.6549 -1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1232 1.8381 -0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 1.1718 -2.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -1.0124 -1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4821 -0.3804 -1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4089 -1.6148 -0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0068 -0.2028 0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4003 1.7003 -0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9542 0.2797 2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7261 1.8788 1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4498 1.6326 1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7409 0.4656 2.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0911 -1.4670 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0947 -2.5670 0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 -1.9788 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1222 0.8804 1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8799 1.5396 -1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8238 2.5559 -0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0685 0.9708 -1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 1.8663 0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 1 0 4 5 2 0 4 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 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 7 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 18 2 1 0 21 2 1 0 16 6 1 0 16 10 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 6 28 1 1 7 29 1 6 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 6 11 35 1 0 11 36 1 0 12 37 1 1 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 17 43 1 0 17 44 1 0 17 45 1 0 18 46 1 1 19 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 M END