HMDB0000527 RDKit 3D 6a,12a-Dihydroxylithocholic acid 69 72 0 0 0 0 0 0 0 0999 V2000 3.9474 0.6912 1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8635 -0.2782 0.7690 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4197 0.2976 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8403 0.6965 -0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8179 -0.3355 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6319 -1.5403 0.0694 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1628 0.0865 -0.0945 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5495 -0.9265 0.5908 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2365 -1.6938 1.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -1.3438 2.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2637 -1.0360 0.8429 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0421 -0.3141 0.7629 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0494 -1.2472 1.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4176 -0.6812 1.3150 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3305 -1.6365 1.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7898 -0.3537 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0499 0.4838 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5395 0.6580 -1.4619 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1160 -0.5429 -1.8766 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5082 1.1781 -2.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1587 0.5702 -2.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7261 0.4654 -0.8061 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6331 1.8522 -0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4262 -0.2399 -0.6770 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3478 0.2803 -1.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 -0.1895 -1.2550 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1128 -1.5405 -1.6571 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3677 -0.1635 0.2165 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2053 1.2065 0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7488 0.4130 2.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 0.7737 2.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 1.7203 1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5626 -1.1097 1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8235 1.1328 -0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3284 -0.5221 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0978 1.0983 -1.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 1.5605 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4205 0.9198 0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7003 -1.7371 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8842 -1.3745 2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3238 -2.7728 1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -0.4922 2.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2873 -2.2417 2.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1991 -1.9573 0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 0.6226 1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9166 -2.2530 1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 -1.2331 2.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5106 0.1951 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0582 -2.5015 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9701 -1.2558 -0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8062 -0.1182 0.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9137 1.4157 0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3890 1.3994 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6506 -0.3416 -2.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5072 2.2912 -2.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8695 0.9450 -3.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1361 -0.4173 -2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4285 1.2136 -2.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7597 2.4159 -0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6056 1.8742 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5193 2.4833 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6131 -1.3097 -0.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4045 1.3875 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5897 -0.1234 -2.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7435 0.3570 -1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9272 -1.7086 -2.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4036 1.7111 0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8028 1.2699 1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0934 1.8672 0.5925 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 2 0 5 7 1 0 2 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 1 0 14 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 1 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 1 28 8 1 0 28 11 1 0 24 12 1 0 22 16 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 1 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 7 38 1 0 8 39 1 6 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 6 12 45 1 1 13 46 1 0 13 47 1 0 14 48 1 1 15 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 18 53 1 1 19 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 23 59 1 0 23 60 1 0 23 61 1 0 24 62 1 6 25 63 1 0 25 64 1 0 26 65 1 6 27 66 1 0 29 67 1 0 29 68 1 0 29 69 1 0 M END