@MOLECULE (3alpha,5alpha,6alpha,7beta,14beta,16beta,23r)-3,6,7,23-tetrahydroxy-16,23-cyclocholestan-15-one 73 77 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2029 1.4599 0.6644 O.3 1 UNL111111 -0.5562 2 O 0.7326 1.1031 2.6977 O.3 1 UNL111111 -0.5607 3 O -0.5130 1.3394 -0.8796 O.2 1 UNL111111 -0.4368 4 O 3.1616 2.4107 1.8987 O.3 1 UNL111111 -0.5603 5 O 5.3984 1.7900 -1.9875 O.3 1 UNL111111 -0.5624 6 C -1.0205 -1.9478 0.1468 C.3 1 UNL111111 0.0768 7 C -0.5324 -0.5612 0.6487 C.3 1 UNL111111 -0.2468 8 C -2.4433 -1.6449 -0.4239 C.3 1 UNL111111 -0.1550 9 C 0.9731 -0.5010 0.9075 C.3 1 UNL111111 -0.1533 10 C 1.7512 -0.8726 -0.3690 C.3 1 UNL111111 -0.1412 11 C -2.3754 -0.1841 -0.9400 C.3 1 UNL111111 -0.3296 12 C 3.2866 -0.6898 -0.1975 C.3 1 UNL111111 0.0574 13 C -0.1360 -2.4252 -1.0300 C.3 1 UNL111111 -0.2958 14 C -3.6057 -1.6787 0.5935 C.3 1 UNL111111 -0.0850 15 C -3.5961 0.5811 -0.3676 C.3 1 UNL111111 0.3173 16 C -1.0580 0.3719 -0.4309 C.2 1 UNL111111 0.4973 17 C 1.3660 -2.3163 -0.7375 C.3 1 UNL111111 -0.2725 18 C 3.5416 0.7791 0.2325 C.3 1 UNL111111 -0.1458 19 C 1.3390 0.8918 1.4390 C.3 1 UNL111111 0.0677 20 C -4.5250 -0.5099 0.1875 C.3 1 UNL111111 -0.3630 21 C 2.8622 1.0641 1.5802 C.3 1 UNL111111 0.0872 22 C -1.0193 -2.9902 1.2573 C.3 1 UNL111111 -0.4614 23 C 3.9658 -0.8901 -1.5730 C.3 1 UNL111111 -0.2827 24 C 5.0324 1.1192 0.3151 C.3 1 UNL111111 -0.3350 25 C 3.8550 -1.6932 0.8130 C.3 1 UNL111111 -0.4593 26 C -4.1785 1.5496 -1.4118 C.3 1 UNL111111 -0.2907 27 C -4.3596 -3.0054 0.5718 C.3 1 UNL111111 -0.4512 28 C 5.4638 -0.5777 -1.5361 C.3 1 UNL111111 -0.3275 29 C 5.7504 0.8362 -1.0085 C.3 1 UNL111111 0.1684 30 C -5.4454 2.2912 -0.9608 C.3 1 UNL111111 -0.3352 31 C -6.7209 1.4514 -1.1096 C.3 1 UNL111111 -0.4386 32 C -5.2248 2.7594 0.4151 C.3 1 UNL111111 0.1567 33 H -1.0555 -0.3003 1.6043 H 1 UNL111111 0.1715 34 H -2.6691 -2.3439 -1.2543 H 1 UNL111111 0.1474 35 H 1.2159 -1.2536 1.7014 H 1 UNL111111 0.1424 36 H 1.4219 -0.1909 -1.1956 H 1 UNL111111 0.1585 37 H -2.3902 -0.1523 -2.0484 H 1 UNL111111 0.1732 38 H -0.3669 -1.8335 -1.9373 H 1 UNL111111 0.1447 39 H -0.3879 -3.4713 -1.2800 H 1 UNL111111 0.1372 40 H -3.2153 -1.4966 1.6209 H 1 UNL111111 0.1343 41 H 1.6459 -3.0100 0.0757 H 1 UNL111111 0.1385 42 H 1.9348 -2.6503 -1.6254 H 1 UNL111111 0.1372 43 H 3.0753 1.4553 -0.5308 H 1 UNL111111 0.1539 44 H 0.8968 1.7167 0.8245 H 1 UNL111111 0.1920 45 H -5.2508 -0.8287 -0.5798 H 1 UNL111111 0.1599 46 H -5.1208 -0.1377 1.0387 H 1 UNL111111 0.1636 47 H 3.2810 0.4476 2.4034 H 1 UNL111111 0.1219 48 H -1.5620 -2.6531 2.1472 H 1 UNL111111 0.1479 49 H -1.4823 -3.9265 0.9255 H 1 UNL111111 0.1487 50 H 0.0027 -3.2303 1.5751 H 1 UNL111111 0.1513 51 H 3.4727 -0.2508 -2.3305 H 1 UNL111111 0.1414 52 H 3.8187 -1.9297 -1.9201 H 1 UNL111111 0.1348 53 H 5.1454 2.1961 0.5741 H 1 UNL111111 0.1784 54 H 5.5197 0.5689 1.1384 H 1 UNL111111 0.1448 55 H 4.8928 -1.4532 1.0734 H 1 UNL111111 0.1525 56 H 3.2821 -1.7116 1.7442 H 1 UNL111111 0.1382 57 H 3.8559 -2.7106 0.4073 H 1 UNL111111 0.1442 58 H -3.3867 2.3058 -1.6229 H 1 UNL111111 0.1768 59 H -4.3730 1.0159 -2.3594 H 1 UNL111111 0.1490 60 H -5.1981 -2.9950 1.2782 H 1 UNL111111 0.1469 61 H -4.7720 -3.2255 -0.4197 H 1 UNL111111 0.1470 62 H -3.7088 -3.8426 0.8479 H 1 UNL111111 0.1459 63 H 5.9961 -1.3196 -0.9145 H 1 UNL111111 0.1406 64 H 5.8873 -0.6713 -2.5554 H 1 UNL111111 0.1500 65 H 6.8485 1.0086 -0.9145 H 1 UNL111111 0.1303 66 H -2.8774 0.9940 1.4587 H 1 UNL111111 0.3238 67 H 1.0288 0.4454 3.3559 H 1 UNL111111 0.3093 68 H -5.5608 3.1966 -1.6244 H 1 UNL111111 0.1629 69 H 2.4345 2.8001 2.4325 H 1 UNL111111 0.3319 70 H 4.4282 1.8778 -2.0589 H 1 UNL111111 0.3174 71 H -6.8158 0.7108 -0.3129 H 1 UNL111111 0.1442 72 H -6.7459 0.9221 -2.0692 H 1 UNL111111 0.1396 73 H -7.6175 2.0845 -1.0616 H 1 UNL111111 0.1431 @BOND 1 64 28 1 2 5 70 1 3 5 29 1 4 65 29 1 5 28 29 1 6 28 63 1 7 28 23 1 8 51 23 1 9 29 24 1 10 52 23 1 11 23 12 1 12 42 17 1 13 24 53 1 14 24 54 1 15 24 18 1 16 43 18 1 17 36 10 1 18 12 18 1 19 12 10 1 20 12 25 1 21 38 13 1 22 18 21 1 23 57 25 1 24 55 25 1 25 17 10 1 26 17 13 1 27 17 41 1 28 10 9 1 29 25 56 1 30 39 13 1 31 13 6 1 32 37 11 1 33 3 16 2 34 59 26 1 35 21 4 1 36 21 47 1 37 21 19 1 38 16 11 1 39 16 7 1 40 58 26 1 41 34 8 1 42 4 69 1 43 11 8 1 44 11 15 1 45 44 19 1 46 9 19 1 47 9 7 1 48 9 35 1 49 6 8 1 50 6 7 1 51 6 22 1 52 19 2 1 53 26 15 1 54 26 30 1 55 8 14 1 56 7 33 1 57 68 30 1 58 72 31 1 59 15 1 1 60 15 20 1 61 50 22 1 62 49 22 1 63 30 31 1 64 30 32 1 65 22 48 1 66 61 27 1 67 45 20 1 68 1 66 1 69 2 67 1 70 31 73 1 71 31 71 1 72 14 20 1 73 14 27 1 74 14 40 1 75 20 46 1 76 62 27 1 77 27 60 1