@MOLECULE (3beta,5alpha,6beta)-cholestane-3,5,6-triol 78 81 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.4592 0.3764 0.4694 O.3 1 UNL1111111111 -0.5914 2 O -4.1438 0.0239 2.9054 O.3 1 UNL1111111111 -0.5639 3 O -4.3117 -3.6677 -0.5766 O.3 1 UNL1111111111 -0.5704 4 C 0.1731 0.6256 0.7813 C.3 1 UNL1111111111 -0.1341 5 C -1.3200 0.9381 0.6773 C.3 1 UNL1111111111 -0.1240 6 C 0.9690 1.2214 -0.4208 C.3 1 UNL1111111111 0.0735 7 C -1.8472 0.2379 -0.6050 C.3 1 UNL1111111111 -0.1311 8 C -3.3712 0.4696 -0.7889 C.3 1 UNL1111111111 0.0134 9 C 2.4261 0.8848 0.0199 C.3 1 UNL1111111111 -0.1444 10 C -4.1051 -0.0519 0.4823 C.3 1 UNL1111111111 0.2379 11 C 0.4716 0.4918 -1.6756 C.3 1 UNL1111111111 -0.2983 12 C -1.0459 0.6879 -1.8426 C.3 1 UNL1111111111 -0.2736 13 C -2.0567 0.4262 1.9196 C.3 1 UNL1111111111 -0.3218 14 C 0.9350 1.1339 2.0117 C.3 1 UNL1111111111 -0.2798 15 C -3.5622 0.6317 1.7660 C.3 1 UNL1111111111 0.1306 16 C 2.4111 1.1623 1.5524 C.3 1 UNL1111111111 -0.2798 17 C -3.9126 -0.2897 -2.0234 C.3 1 UNL1111111111 -0.2925 18 C -4.0778 -1.5796 0.6182 C.3 1 UNL1111111111 -0.3982 19 C 0.7877 2.7352 -0.5779 C.3 1 UNL1111111111 -0.4590 20 C 3.5591 1.6503 -0.6839 C.3 1 UNL1111111111 -0.0935 21 C -3.6953 1.9578 -0.9886 C.3 1 UNL1111111111 -0.4599 22 C -3.8088 -1.8069 -1.8883 C.3 1 UNL1111111111 -0.3072 23 C -4.5786 -2.2751 -0.6494 C.3 1 UNL1111111111 0.1684 24 C 4.9337 1.3190 -0.0594 C.3 1 UNL1111111111 -0.2891 25 C 3.5891 1.3524 -2.1884 C.3 1 UNL1111111111 -0.4514 26 C 5.2874 -0.1719 -0.1187 C.3 1 UNL1111111111 -0.2616 27 C 6.6700 -0.4228 0.4952 C.3 1 UNL1111111111 -0.2888 28 C 7.0593 -1.9139 0.5375 C.3 1 UNL1111111111 -0.0602 29 C 7.0975 -2.5249 -0.8681 C.3 1 UNL1111111111 -0.4535 30 C 6.1122 -2.7143 1.4396 C.3 1 UNL1111111111 -0.4523 31 H 0.2882 -0.4890 0.7528 H 1 UNL1111111111 0.1392 32 H -1.4719 2.0384 0.5944 H 1 UNL1111111111 0.1434 33 H -1.6834 -0.8620 -0.4807 H 1 UNL1111111111 0.1455 34 H 2.5882 -0.2051 -0.1481 H 1 UNL1111111111 0.1357 35 H 0.7110 -0.5856 -1.6119 H 1 UNL1111111111 0.1392 36 H 0.9916 0.8617 -2.5766 H 1 UNL1111111111 0.1370 37 H -1.2580 1.7496 -2.0652 H 1 UNL1111111111 0.1402 38 H -1.3811 0.1178 -2.7297 H 1 UNL1111111111 0.1341 39 H -1.8344 -0.6419 2.1076 H 1 UNL1111111111 0.1585 40 H -1.7043 0.9543 2.8276 H 1 UNL1111111111 0.1594 41 H 0.7916 0.4792 2.8837 H 1 UNL1111111111 0.1353 42 H 0.5917 2.1356 2.3128 H 1 UNL1111111111 0.1361 43 H -3.8442 1.7085 1.7754 H 1 UNL1111111111 0.1324 44 H 2.8645 2.1391 1.7799 H 1 UNL1111111111 0.1340 45 H 3.0107 0.4079 2.0845 H 1 UNL1111111111 0.1343 46 H -3.3728 0.0410 -2.9319 H 1 UNL1111111111 0.1470 47 H -4.9663 0.0009 -2.2011 H 1 UNL1111111111 0.1347 48 H -4.6854 -1.8785 1.4953 H 1 UNL1111111111 0.1658 49 H -3.0492 -1.9225 0.8496 H 1 UNL1111111111 0.1743 50 H -0.2650 3.0125 -0.6963 H 1 UNL1111111111 0.1461 51 H 1.1692 3.2755 0.2952 H 1 UNL1111111111 0.1469 52 H 1.3203 3.1069 -1.4595 H 1 UNL1111111111 0.1411 53 H 3.3908 2.7472 -0.5466 H 1 UNL1111111111 0.1327 54 H -4.7753 2.1447 -0.9236 H 1 UNL1111111111 0.1590 55 H -3.2217 2.5877 -0.2280 H 1 UNL1111111111 0.1497 56 H -3.3558 2.3166 -1.9654 H 1 UNL1111111111 0.1439 57 H -4.2043 -2.3125 -2.7897 H 1 UNL1111111111 0.1513 58 H -2.7525 -2.1341 -1.8172 H 1 UNL1111111111 0.1627 59 H -5.6771 -2.1575 -0.7784 H 1 UNL1111111111 0.1071 60 H -5.9362 0.0228 -0.3031 H 1 UNL1111111111 0.3229 61 H 5.7141 1.9059 -0.5803 H 1 UNL1111111111 0.1348 62 H 4.9555 1.6641 0.9912 H 1 UNL1111111111 0.1346 63 H 3.5380 0.2769 -2.3879 H 1 UNL1111111111 0.1447 64 H 4.5091 1.7290 -2.6488 H 1 UNL1111111111 0.1432 65 H 2.7488 1.8279 -2.7054 H 1 UNL1111111111 0.1412 66 H -5.1214 0.0665 2.8309 H 1 UNL1111111111 0.3282 67 H 4.5242 -0.7656 0.4183 H 1 UNL1111111111 0.1392 68 H 5.2677 -0.5243 -1.1663 H 1 UNL1111111111 0.1389 69 H -4.6330 -4.0433 0.2632 H 1 UNL1111111111 0.3160 70 H 6.7003 -0.0125 1.5225 H 1 UNL1111111111 0.1345 71 H 7.4352 0.1360 -0.0759 H 1 UNL1111111111 0.1330 72 H 8.0893 -1.9769 0.9721 H 1 UNL1111111111 0.1237 73 H 6.0976 -2.5792 -1.3116 H 1 UNL1111111111 0.1455 74 H 7.5000 -3.5430 -0.8453 H 1 UNL1111111111 0.1403 75 H 7.7260 -1.9336 -1.5419 H 1 UNL1111111111 0.1413 76 H 5.0984 -2.7537 1.0270 H 1 UNL1111111111 0.1460 77 H 6.4577 -3.7469 1.5559 H 1 UNL1111111111 0.1399 78 H 6.0453 -2.2711 2.4386 H 1 UNL1111111111 0.1416 @BOND 1 1 10 1 2 1 60 1 3 2 15 1 4 2 66 1 5 3 23 1 6 3 69 1 7 4 5 1 8 4 6 1 9 4 14 1 10 4 31 1 11 5 7 1 12 5 13 1 13 5 32 1 14 6 9 1 15 6 11 1 16 6 19 1 17 7 8 1 18 7 12 1 19 7 33 1 20 8 10 1 21 8 17 1 22 8 21 1 23 9 16 1 24 9 20 1 25 9 34 1 26 10 15 1 27 10 18 1 28 11 12 1 29 11 35 1 30 11 36 1 31 12 37 1 32 12 38 1 33 13 15 1 34 13 39 1 35 13 40 1 36 14 16 1 37 14 41 1 38 14 42 1 39 15 43 1 40 16 44 1 41 16 45 1 42 17 22 1 43 17 46 1 44 17 47 1 45 18 23 1 46 18 48 1 47 18 49 1 48 19 50 1 49 19 51 1 50 19 52 1 51 20 24 1 52 20 25 1 53 20 53 1 54 21 54 1 55 21 55 1 56 21 56 1 57 22 23 1 58 22 57 1 59 22 58 1 60 23 59 1 61 24 26 1 62 24 61 1 63 24 62 1 64 25 63 1 65 25 64 1 66 25 65 1 67 26 27 1 68 26 67 1 69 26 68 1 70 27 28 1 71 27 70 1 72 27 71 1 73 28 29 1 74 28 30 1 75 28 72 1 76 29 73 1 77 29 74 1 78 29 75 1 79 30 76 1 80 30 77 1 81 30 78 1