@MOLECULE (3alpha,5beta,7alpha,12alpha,25s)-cholestane-3,7,12,26-tetrol 79 82 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7509 2.1994 1.2117 O.3 1 UNL1111111111 -0.5611 2 O 2.2253 -2.1670 1.4461 O.3 1 UNL1111111111 -0.5678 3 O 6.3773 0.2666 2.1857 O.3 1 UNL1111111111 -0.5756 4 O -8.2736 -1.0449 -0.3200 O.3 1 UNL1111111111 -0.5486 5 C -0.4290 0.6975 -0.3085 C.3 1 UNL1111111111 0.0019 6 C 0.2844 -0.5570 0.2721 C.3 1 UNL1111111111 -0.1218 7 C 1.5441 -0.9080 -0.5156 C.3 1 UNL1111111111 -0.1942 8 C 2.5329 0.2762 -0.4026 C.3 1 UNL1111111111 -0.1205 9 C 3.8311 -0.0320 -1.1928 C.3 1 UNL1111111111 0.0668 10 C -1.7087 0.7378 0.5743 C.3 1 UNL1111111111 -0.1327 11 C 0.5343 1.8874 -0.1465 C.3 1 UNL1111111111 0.1372 12 C 1.8835 1.6023 -0.8385 C.3 1 UNL1111111111 -0.3482 13 C 4.5043 -1.3059 -0.6075 C.3 1 UNL1111111111 -0.1162 14 C -0.8374 -1.6011 0.3526 C.3 1 UNL1111111111 -0.2762 15 C 2.1650 -2.2029 0.0393 C.3 1 UNL1111111111 0.1565 16 C -2.0793 -0.7687 0.7421 C.3 1 UNL1111111111 -0.2835 17 C 3.5384 -2.5024 -0.5766 C.3 1 UNL1111111111 -0.3520 18 C 4.8401 1.1411 -1.1187 C.3 1 UNL1111111111 -0.2905 19 C -0.7887 0.5488 -1.7909 C.3 1 UNL1111111111 -0.4561 20 C -2.8967 1.5517 0.0298 C.3 1 UNL1111111111 -0.0896 21 C 5.0953 -1.0748 0.7912 C.3 1 UNL1111111111 -0.3088 22 C 3.5412 -0.2645 -2.6880 C.3 1 UNL1111111111 -0.4674 23 C 5.3597 1.3924 0.2958 C.3 1 UNL1111111111 -0.3386 24 C 6.0489 0.1246 0.8114 C.3 1 UNL1111111111 0.1682 25 C -4.0971 1.4571 1.0000 C.3 1 UNL1111111111 -0.2868 26 C -2.5279 3.0284 -0.1624 C.3 1 UNL1111111111 -0.4554 27 C -5.4422 1.5217 0.2624 C.3 1 UNL1111111111 -0.2724 28 C -5.7257 0.2708 -0.5808 C.3 1 UNL1111111111 -0.2828 29 C -5.9817 -0.9854 0.2692 C.3 1 UNL1111111111 -0.0925 30 C -7.4201 -0.9854 0.8154 C.3 1 UNL1111111111 -0.0164 31 C -5.7466 -2.2480 -0.5657 C.3 1 UNL1111111111 -0.4471 32 H 0.5967 -0.3404 1.3305 H 1 UNL1111111111 0.1440 33 H 1.2843 -1.0798 -1.5852 H 1 UNL1111111111 0.1487 34 H 2.8148 0.3862 0.6750 H 1 UNL1111111111 0.1379 35 H -1.4274 1.1615 1.5672 H 1 UNL1111111111 0.1495 36 H 0.0917 2.8368 -0.5245 H 1 UNL1111111111 0.1412 37 H 2.5684 2.4413 -0.6019 H 1 UNL1111111111 0.1543 38 H 1.7399 1.6201 -1.9329 H 1 UNL1111111111 0.1472 39 H 5.3531 -1.5731 -1.2878 H 1 UNL1111111111 0.1348 40 H -0.6127 -2.3791 1.0992 H 1 UNL1111111111 0.1460 41 H -0.9842 -2.1179 -0.6072 H 1 UNL1111111111 0.1314 42 H 1.4696 -3.0631 -0.1238 H 1 UNL1111111111 0.1373 43 H -2.9394 -1.0358 0.1079 H 1 UNL1111111111 0.1399 44 H -2.3777 -0.9761 1.7807 H 1 UNL1111111111 0.1321 45 H 4.0022 -3.3400 -0.0169 H 1 UNL1111111111 0.1577 46 H 3.3928 -2.8812 -1.6063 H 1 UNL1111111111 0.1461 47 H 5.6933 0.9277 -1.7921 H 1 UNL1111111111 0.1383 48 H 4.3780 2.0618 -1.5214 H 1 UNL1111111111 0.1438 49 H -1.2423 1.4641 -2.1866 H 1 UNL1111111111 0.1446 50 H 0.0861 0.3243 -2.4096 H 1 UNL1111111111 0.1428 51 H -1.5080 -0.2653 -1.9406 H 1 UNL1111111111 0.1533 52 H -3.1986 1.1276 -0.9573 H 1 UNL1111111111 0.1369 53 H 4.3020 -0.9036 1.5496 H 1 UNL1111111111 0.1475 54 H 5.6334 -1.9795 1.1367 H 1 UNL1111111111 0.1552 55 H 4.4568 -0.4986 -3.2412 H 1 UNL1111111111 0.1426 56 H 2.8479 -1.0966 -2.8468 H 1 UNL1111111111 0.1485 57 H 3.0972 0.6225 -3.1517 H 1 UNL1111111111 0.1459 58 H 6.0584 2.2477 0.3023 H 1 UNL1111111111 0.1383 59 H 4.5326 1.6774 0.9751 H 1 UNL1111111111 0.1613 60 H 6.9908 -0.0861 0.2609 H 1 UNL1111111111 0.1130 61 H 1.1288 1.4357 1.6922 H 1 UNL1111111111 0.3144 62 H -4.0400 2.2733 1.7445 H 1 UNL1111111111 0.1375 63 H -4.0485 0.5286 1.5966 H 1 UNL1111111111 0.1383 64 H 2.9443 -1.5754 1.7618 H 1 UNL1111111111 0.3173 65 H -1.8743 3.1730 -1.0274 H 1 UNL1111111111 0.1362 66 H -2.0068 3.4269 0.7171 H 1 UNL1111111111 0.1545 67 H -3.4204 3.6416 -0.3267 H 1 UNL1111111111 0.1414 68 H -6.2580 1.6731 0.9935 H 1 UNL1111111111 0.1300 69 H -5.4632 2.4139 -0.3925 H 1 UNL1111111111 0.1355 70 H 6.8407 1.1037 2.3573 H 1 UNL1111111111 0.3164 71 H -4.8807 0.0883 -1.2715 H 1 UNL1111111111 0.1386 72 H -6.6035 0.4513 -1.2346 H 1 UNL1111111111 0.1551 73 H -5.2816 -0.9930 1.1404 H 1 UNL1111111111 0.1351 74 H -7.6404 -0.0651 1.3830 H 1 UNL1111111111 0.1092 75 H -7.6152 -1.8697 1.4461 H 1 UNL1111111111 0.1085 76 H -4.7276 -2.2866 -0.9626 H 1 UNL1111111111 0.1382 77 H -6.4416 -2.2846 -1.4162 H 1 UNL1111111111 0.1623 78 H -5.9115 -3.1554 0.0238 H 1 UNL1111111111 0.1395 79 H -9.2050 -0.9755 -0.0433 H 1 UNL1111111111 0.3036 @BOND 1 1 11 1 2 1 61 1 3 2 15 1 4 2 64 1 5 3 24 1 6 3 70 1 7 4 30 1 8 4 79 1 9 5 6 1 10 5 10 1 11 5 11 1 12 5 19 1 13 6 7 1 14 6 14 1 15 6 32 1 16 7 8 1 17 7 15 1 18 7 33 1 19 8 9 1 20 8 12 1 21 8 34 1 22 9 13 1 23 9 18 1 24 9 22 1 25 10 16 1 26 10 20 1 27 10 35 1 28 11 12 1 29 11 36 1 30 12 37 1 31 12 38 1 32 13 17 1 33 13 21 1 34 13 39 1 35 14 16 1 36 14 40 1 37 14 41 1 38 15 17 1 39 15 42 1 40 16 43 1 41 16 44 1 42 17 45 1 43 17 46 1 44 18 23 1 45 18 47 1 46 18 48 1 47 19 49 1 48 19 50 1 49 19 51 1 50 20 25 1 51 20 26 1 52 20 52 1 53 21 24 1 54 21 53 1 55 21 54 1 56 22 55 1 57 22 56 1 58 22 57 1 59 23 24 1 60 23 58 1 61 23 59 1 62 24 60 1 63 25 27 1 64 25 62 1 65 25 63 1 66 26 65 1 67 26 66 1 68 26 67 1 69 27 28 1 70 27 68 1 71 27 69 1 72 28 29 1 73 28 71 1 74 28 72 1 75 29 30 1 76 29 31 1 77 29 73 1 78 30 74 1 79 30 75 1 80 31 76 1 81 31 77 1 82 31 78 1