@MOLECULE 5beta-cholestane-3alpha,7alpha,24,25-tetrol 79 82 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9851 2.4829 -1.1593 O.3 1 UNL1111111111 -0.5539 2 O 7.5156 -0.3508 -1.5218 O.3 1 UNL1111111111 -0.5613 3 O -6.6456 -0.4151 -1.7979 O.3 1 UNL1111111111 -0.5604 4 O -7.4541 0.6601 1.5135 O.3 1 UNL1111111111 -0.5829 5 C 0.7993 0.9570 -0.1672 C.3 1 UNL1111111111 -0.1274 6 C -0.0874 -0.2861 0.1494 C.3 1 UNL1111111111 0.0691 7 C 2.1926 0.8239 0.4419 C.3 1 UNL1111111111 -0.1876 8 C 2.8774 -0.4075 -0.2015 C.3 1 UNL1111111111 -0.1339 9 C 4.3148 -0.5955 0.3703 C.3 1 UNL1111111111 0.0579 10 C -1.4488 0.1786 -0.4520 C.3 1 UNL1111111111 -0.1452 11 C 5.1106 0.7005 0.0515 C.3 1 UNL1111111111 -0.1053 12 C 0.5741 -1.4824 -0.5481 C.3 1 UNL1111111111 -0.2966 13 C 2.0120 -1.6722 -0.0323 C.3 1 UNL1111111111 -0.2758 14 C -0.0707 2.1424 0.2686 C.3 1 UNL1111111111 -0.2827 15 C 3.0117 2.1049 0.1990 C.3 1 UNL1111111111 0.1492 16 C -1.5068 1.6927 -0.0827 C.3 1 UNL1111111111 -0.2776 17 C 4.4601 1.9398 0.6792 C.3 1 UNL1111111111 -0.3522 18 C 5.0112 -1.7597 -0.3748 C.3 1 UNL1111111111 -0.2899 19 C -0.2283 -0.5550 1.6527 C.3 1 UNL1111111111 -0.4578 20 C -2.7082 -0.5665 0.0290 C.3 1 UNL1111111111 -0.0907 21 C 6.5751 0.5943 0.4979 C.3 1 UNL1111111111 -0.3472 22 C 4.2789 -0.8968 1.8725 C.3 1 UNL1111111111 -0.4546 23 C 6.4855 -1.9090 0.0108 C.3 1 UNL1111111111 -0.3289 24 C 7.2759 -0.6047 -0.1541 C.3 1 UNL1111111111 0.1676 25 C -3.9652 0.0323 -0.6400 C.3 1 UNL1111111111 -0.2821 26 C -2.6316 -2.0630 -0.3013 C.3 1 UNL1111111111 -0.4539 27 C -5.2256 -0.2822 0.1723 C.3 1 UNL1111111111 -0.3286 28 C -6.4691 0.2284 -0.5549 C.3 1 UNL1111111111 0.1287 29 C -7.7698 0.0315 0.2817 C.3 1 UNL1111111111 0.2936 30 C -8.0995 -1.4391 0.5405 C.3 1 UNL1111111111 -0.5061 31 C -8.9396 0.7578 -0.3817 C.3 1 UNL1111111111 -0.5091 32 H 0.9245 1.0288 -1.2793 H 1 UNL1111111111 0.1484 33 H 2.1111 0.6728 1.5430 H 1 UNL1111111111 0.1487 34 H 2.9677 -0.2157 -1.2991 H 1 UNL1111111111 0.1295 35 H -1.3909 0.0784 -1.5596 H 1 UNL1111111111 0.1344 36 H 5.1047 0.8359 -1.0603 H 1 UNL1111111111 0.1239 37 H -0.0028 -2.4079 -0.3757 H 1 UNL1111111111 0.1382 38 H 0.5802 -1.3312 -1.6429 H 1 UNL1111111111 0.1384 39 H 2.4760 -2.5181 -0.5731 H 1 UNL1111111111 0.1331 40 H 1.9841 -1.9714 1.0316 H 1 UNL1111111111 0.1412 41 H 0.2111 3.0664 -0.2603 H 1 UNL1111111111 0.1440 42 H 0.0336 2.3505 1.3439 H 1 UNL1111111111 0.1322 43 H 2.5254 2.9848 0.6819 H 1 UNL1111111111 0.1403 44 H -2.1835 1.8654 0.7685 H 1 UNL1111111111 0.1377 45 H -1.9037 2.2774 -0.9262 H 1 UNL1111111111 0.1336 46 H 5.0366 2.8462 0.4080 H 1 UNL1111111111 0.1563 47 H 4.4878 1.8799 1.7813 H 1 UNL1111111111 0.1490 48 H 4.4858 -2.7097 -0.1588 H 1 UNL1111111111 0.1415 49 H 4.9227 -1.6128 -1.4672 H 1 UNL1111111111 0.1342 50 H -0.7360 0.2735 2.1581 H 1 UNL1111111111 0.1484 51 H -0.8076 -1.4649 1.8398 H 1 UNL1111111111 0.1420 52 H 0.7437 -0.6854 2.1391 H 1 UNL1111111111 0.1432 53 H -2.7996 -0.4439 1.1344 H 1 UNL1111111111 0.1369 54 H 6.6433 0.5176 1.5974 H 1 UNL1111111111 0.1481 55 H 7.1182 1.5207 0.2240 H 1 UNL1111111111 0.1546 56 H 3.7420 -0.1234 2.4314 H 1 UNL1111111111 0.1456 57 H 3.7845 -1.8529 2.0760 H 1 UNL1111111111 0.1441 58 H 5.2874 -0.9599 2.2953 H 1 UNL1111111111 0.1466 59 H 6.5722 -2.2635 1.0545 H 1 UNL1111111111 0.1445 60 H 6.9549 -2.6943 -0.6132 H 1 UNL1111111111 0.1519 61 H 8.3161 -0.7179 0.2339 H 1 UNL1111111111 0.1327 62 H -4.0689 -0.3523 -1.6727 H 1 UNL1111111111 0.1486 63 H -3.8670 1.1285 -0.7493 H 1 UNL1111111111 0.1428 64 H 3.4131 1.8110 -1.7233 H 1 UNL1111111111 0.3095 65 H -1.8720 -2.5686 0.3043 H 1 UNL1111111111 0.1418 66 H -3.5850 -2.5641 -0.1044 H 1 UNL1111111111 0.1397 67 H -2.3836 -2.2274 -1.3553 H 1 UNL1111111111 0.1439 68 H -5.1682 0.1929 1.1748 H 1 UNL1111111111 0.1705 69 H -5.3030 -1.3667 0.3653 H 1 UNL1111111111 0.1399 70 H 6.6819 -0.1918 -2.0021 H 1 UNL1111111111 0.3130 71 H -6.3635 1.2981 -0.8490 H 1 UNL1111111111 0.1517 72 H -6.4977 -1.3769 -1.7235 H 1 UNL1111111111 0.3136 73 H -8.2460 -1.9849 -0.3982 H 1 UNL1111111111 0.1569 74 H -9.0184 -1.5470 1.1267 H 1 UNL1111111111 0.1509 75 H -7.2993 -1.9300 1.1071 H 1 UNL1111111111 0.1587 76 H -9.8950 0.5378 0.1010 H 1 UNL1111111111 0.1455 77 H -9.0224 0.4673 -1.4390 H 1 UNL1111111111 0.1739 78 H -8.7934 1.8447 -0.3539 H 1 UNL1111111111 0.1605 79 H -8.2325 0.7045 2.0959 H 1 UNL1111111111 0.3204 @BOND 1 1 15 1 2 1 64 1 3 2 24 1 4 2 70 1 5 3 28 1 6 3 72 1 7 4 29 1 8 4 79 1 9 5 6 1 10 5 7 1 11 5 14 1 12 5 32 1 13 6 10 1 14 6 12 1 15 6 19 1 16 7 8 1 17 7 15 1 18 7 33 1 19 8 9 1 20 8 13 1 21 8 34 1 22 9 11 1 23 9 18 1 24 9 22 1 25 10 16 1 26 10 20 1 27 10 35 1 28 11 17 1 29 11 21 1 30 11 36 1 31 12 13 1 32 12 37 1 33 12 38 1 34 13 39 1 35 13 40 1 36 14 16 1 37 14 41 1 38 14 42 1 39 15 17 1 40 15 43 1 41 16 44 1 42 16 45 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 25 1 52 20 26 1 53 20 53 1 54 21 24 1 55 21 54 1 56 21 55 1 57 22 56 1 58 22 57 1 59 22 58 1 60 23 24 1 61 23 59 1 62 23 60 1 63 24 61 1 64 25 27 1 65 25 62 1 66 25 63 1 67 26 65 1 68 26 66 1 69 26 67 1 70 27 28 1 71 27 68 1 72 27 69 1 73 28 29 1 74 28 71 1 75 29 30 1 76 29 31 1 77 30 73 1 78 30 74 1 79 30 75 1 80 31 76 1 81 31 77 1 82 31 78 1