@MOLECULE 5beta-cholestane-3alpha,7alpha,26,27-tetrol 79 82 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6129 1.1010 2.2500 O.3 1 UNL1111111111 -0.5721 2 O 5.3480 3.7145 -0.7333 O.3 1 UNL1111111111 -0.5701 3 O -7.0741 1.7169 2.2109 O.3 1 UNL1111111111 -0.5450 4 O -7.2951 1.0701 -2.0920 O.3 1 UNL1111111111 -0.5403 5 C 0.7909 -0.7019 0.9236 C.3 1 UNL1111111111 -0.1444 6 C 0.0734 -1.4149 -0.2628 C.3 1 UNL1111111111 0.0751 7 C 2.3043 -0.9108 0.8844 C.3 1 UNL1111111111 -0.1913 8 C 2.8380 -0.2798 -0.4245 C.3 1 UNL1111111111 -0.1185 9 C 4.3742 -0.4600 -0.5265 C.3 1 UNL1111111111 0.0636 10 C -1.4150 -1.1361 0.1144 C.3 1 UNL1111111111 -0.1409 11 C 5.0597 0.2310 0.6869 C.3 1 UNL1111111111 -0.0962 12 C 0.5680 -0.7312 -1.5436 C.3 1 UNL1111111111 -0.2977 13 C 2.0989 -0.8417 -1.6552 C.3 1 UNL1111111111 -0.2818 14 C 0.0241 -1.1895 2.1594 C.3 1 UNL1111111111 -0.2877 15 C 2.9711 -0.2655 2.1118 C.3 1 UNL1111111111 0.1535 16 C -1.4347 -1.3139 1.6619 C.3 1 UNL1111111111 -0.2766 17 C 4.5008 -0.2776 2.0265 C.3 1 UNL1111111111 -0.3130 18 C 4.9362 0.1621 -1.8298 C.3 1 UNL1111111111 -0.2908 19 C 0.3477 -2.9200 -0.3194 C.3 1 UNL1111111111 -0.4570 20 C -2.4791 -2.0111 -0.5675 C.3 1 UNL1111111111 -0.0923 21 C 4.9420 1.7623 0.6296 C.3 1 UNL1111111111 -0.3523 22 C 4.7716 -1.9490 -0.5432 C.3 1 UNL1111111111 -0.4686 23 C 4.7684 1.6796 -1.8856 C.3 1 UNL1111111111 -0.3311 24 C 5.4931 2.3092 -0.6884 C.3 1 UNL1111111111 0.1676 25 C -3.8920 -1.6923 -0.0280 C.3 1 UNL1111111111 -0.2847 26 C -2.4569 -1.8448 -2.0925 C.3 1 UNL1111111111 -0.4520 27 C -4.3042 -0.2282 -0.2241 C.3 1 UNL1111111111 -0.2650 28 C -5.7754 -0.0290 0.1625 C.3 1 UNL1111111111 -0.2746 29 C -6.1871 1.4469 0.0618 C.3 1 UNL1111111111 -0.1789 30 C -7.4836 1.6940 0.8508 C.3 1 UNL1111111111 -0.0179 31 C -6.3670 1.8788 -1.3992 C.3 1 UNL1111111111 -0.0160 32 H 0.5975 0.3986 0.8126 H 1 UNL1111111111 0.1353 33 H 2.5367 -2.0004 0.8964 H 1 UNL1111111111 0.1488 34 H 2.6300 0.8193 -0.3736 H 1 UNL1111111111 0.1497 35 H -1.6339 -0.0708 -0.1305 H 1 UNL1111111111 0.1364 36 H 6.1478 -0.0281 0.6500 H 1 UNL1111111111 0.1288 37 H 0.1017 -1.1868 -2.4358 H 1 UNL1111111111 0.1402 38 H 0.2640 0.3311 -1.5544 H 1 UNL1111111111 0.1372 39 H 2.4276 -0.2983 -2.5617 H 1 UNL1111111111 0.1366 40 H 2.3805 -1.8985 -1.8154 H 1 UNL1111111111 0.1388 41 H 0.4070 -2.1590 2.5146 H 1 UNL1111111111 0.1382 42 H 0.1070 -0.4942 3.0066 H 1 UNL1111111111 0.1308 43 H 2.6330 -0.7782 3.0442 H 1 UNL1111111111 0.1082 44 H -1.8517 -2.2936 1.9405 H 1 UNL1111111111 0.1356 45 H -2.0823 -0.5560 2.1274 H 1 UNL1111111111 0.1369 46 H 4.9038 0.3476 2.8507 H 1 UNL1111111111 0.1581 47 H 4.8617 -1.3052 2.2163 H 1 UNL1111111111 0.1390 48 H 6.0112 -0.0912 -1.9173 H 1 UNL1111111111 0.1388 49 H 4.4560 -0.3048 -2.7087 H 1 UNL1111111111 0.1386 50 H 1.4197 -3.1361 -0.3807 H 1 UNL1111111111 0.1456 51 H -0.0371 -3.4321 0.5690 H 1 UNL1111111111 0.1464 52 H -0.1235 -3.3751 -1.1970 H 1 UNL1111111111 0.1438 53 H -2.2680 -3.0834 -0.3302 H 1 UNL1111111111 0.1316 54 H 5.4800 2.2187 1.4812 H 1 UNL1111111111 0.1513 55 H 3.8851 2.0701 0.7646 H 1 UNL1111111111 0.1731 56 H 4.4244 -2.4748 0.3511 H 1 UNL1111111111 0.1452 57 H 4.3476 -2.4648 -1.4106 H 1 UNL1111111111 0.1440 58 H 5.8591 -2.0710 -0.5883 H 1 UNL1111111111 0.1434 59 H 5.1791 2.0855 -2.8283 H 1 UNL1111111111 0.1479 60 H 3.7001 1.9596 -1.8807 H 1 UNL1111111111 0.1445 61 H 6.5967 2.1894 -0.7649 H 1 UNL1111111111 0.1351 62 H -3.9481 -1.9517 1.0459 H 1 UNL1111111111 0.1350 63 H -4.6229 -2.3542 -0.5308 H 1 UNL1111111111 0.1372 64 H 1.6426 1.2052 2.2662 H 1 UNL1111111111 0.3133 65 H -2.4369 -0.7895 -2.3843 H 1 UNL1111111111 0.1450 66 H -3.3432 -2.2954 -2.5535 H 1 UNL1111111111 0.1459 67 H -1.5796 -2.3290 -2.5344 H 1 UNL1111111111 0.1409 68 H -4.1466 0.0705 -1.2772 H 1 UNL1111111111 0.1408 69 H -3.6606 0.4324 0.3869 H 1 UNL1111111111 0.1367 70 H 4.4300 3.9812 -0.5435 H 1 UNL1111111111 0.3131 71 H -6.4225 -0.6483 -0.4877 H 1 UNL1111111111 0.1465 72 H -5.9400 -0.3843 1.2000 H 1 UNL1111111111 0.1509 73 H -5.3856 2.0770 0.5287 H 1 UNL1111111111 0.1669 74 H -8.2240 0.8888 0.7086 H 1 UNL1111111111 0.1108 75 H -7.9381 2.6707 0.6070 H 1 UNL1111111111 0.1117 76 H -6.6881 2.9320 -1.4845 H 1 UNL1111111111 0.1134 77 H -5.4391 1.7316 -1.9855 H 1 UNL1111111111 0.1476 78 H -7.8481 1.8018 2.7983 H 1 UNL1111111111 0.3086 79 H -8.1406 1.0151 -1.6103 H 1 UNL1111111111 0.3050 @BOND 1 1 15 1 2 1 64 1 3 2 24 1 4 2 70 1 5 3 30 1 6 3 78 1 7 4 31 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 28 72 1 76 29 30 1 77 29 31 1 78 29 73 1 79 30 74 1 80 30 75 1 81 31 76 1 82 31 77 1