@MOLECULE (3beta,5alpha,15beta,25r)-cholest-8(14)-ene-3,15,26-triol 76 79 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2230 3.2031 0.4490 O.3 1 UNL111111111111 -0.5548 2 O 7.8985 -0.5990 -0.6655 O.3 1 UNL111111111111 -0.5768 3 O -7.7095 -1.9693 -2.2668 O.3 1 UNL111111111111 -0.5496 4 C 3.7173 -0.5355 -0.0470 C.3 1 UNL111111111111 0.0796 5 C 2.2141 -0.7307 -0.4260 C.3 1 UNL111111111111 -0.1436 6 C -0.3255 -0.0459 1.0196 C.3 1 UNL111111111111 0.0823 7 C 4.3539 0.3380 -1.1641 C.3 1 UNL111111111111 -0.1208 8 C 1.5299 0.6063 -0.5519 C.2 1 UNL111111111111 0.0228 9 C 0.3791 0.8898 0.0646 C.2 1 UNL111111111111 -0.1312 10 C -1.8345 0.3151 0.8241 C.3 1 UNL111111111111 -0.1312 11 C 1.5089 -1.7019 0.5413 C.3 1 UNL111111111111 -0.2758 12 C -0.0082 -1.4888 0.5952 C.3 1 UNL111111111111 -0.2926 13 C 4.4269 -1.9110 -0.0470 C.3 1 UNL111111111111 -0.2906 14 C -0.4627 2.1164 -0.1513 C.3 1 UNL111111111111 0.1588 15 C 3.6770 1.7133 -1.2237 C.3 1 UNL111111111111 -0.2684 16 C 2.1783 1.5602 -1.5111 C.3 1 UNL111111111111 -0.2910 17 C -1.8144 1.8364 0.5386 C.3 1 UNL111111111111 -0.3514 18 C 5.8659 0.5013 -0.9724 C.3 1 UNL111111111111 -0.3132 19 C -2.7778 -0.0278 1.9898 C.3 1 UNL111111111111 -0.0890 20 C 3.8415 0.1218 1.3326 C.3 1 UNL111111111111 -0.4623 21 C 0.1533 0.2442 2.4464 C.3 1 UNL111111111111 -0.4518 22 C 5.9408 -1.7761 0.1416 C.3 1 UNL111111111111 -0.3328 23 C 6.5346 -0.8773 -0.9511 C.3 1 UNL111111111111 0.1680 24 C -4.2099 0.4899 1.7245 C.3 1 UNL111111111111 -0.2865 25 C -2.8178 -1.5363 2.2640 C.3 1 UNL111111111111 -0.4510 26 C -4.8399 -0.0867 0.4505 C.3 1 UNL111111111111 -0.2623 27 C -6.2853 0.4033 0.2980 C.3 1 UNL111111111111 -0.2901 28 C -6.9363 -0.0222 -1.0294 C.3 1 UNL111111111111 -0.1353 29 C -6.8861 -1.5499 -1.1965 C.3 1 UNL111111111111 -0.0108 30 C -6.2798 0.6604 -2.2311 C.3 1 UNL111111111111 -0.4447 31 H 2.1775 -1.1969 -1.4473 H 1 UNL111111111111 0.1418 32 H 4.1826 -0.1801 -2.1405 H 1 UNL111111111111 0.1320 33 H -2.1924 -0.2178 -0.0875 H 1 UNL111111111111 0.1383 34 H 1.9236 -1.5954 1.5622 H 1 UNL111111111111 0.1471 35 H 1.7238 -2.7430 0.2366 H 1 UNL111111111111 0.1306 36 H -0.4541 -1.6963 -0.3953 H 1 UNL111111111111 0.1397 37 H -0.4625 -2.2111 1.2948 H 1 UNL111111111111 0.1389 38 H 4.2128 -2.4401 -0.9940 H 1 UNL111111111111 0.1346 39 H 4.0140 -2.5490 0.7561 H 1 UNL111111111111 0.1402 40 H -0.5872 2.3639 -1.2282 H 1 UNL111111111111 0.1160 41 H 4.1474 2.3395 -2.0038 H 1 UNL111111111111 0.1357 42 H 3.8223 2.2577 -0.2707 H 1 UNL111111111111 0.1514 43 H 2.0220 1.2004 -2.5482 H 1 UNL111111111111 0.1424 44 H 1.7016 2.5624 -1.4597 H 1 UNL111111111111 0.1608 45 H -1.8830 2.4079 1.4805 H 1 UNL111111111111 0.1535 46 H -2.6668 2.1402 -0.0838 H 1 UNL111111111111 0.1400 47 H 6.3020 1.1158 -1.7818 H 1 UNL111111111111 0.1487 48 H 6.0998 1.0459 -0.0376 H 1 UNL111111111111 0.1606 49 H -2.4060 0.4856 2.9118 H 1 UNL111111111111 0.1353 50 H 3.1584 0.9782 1.4238 H 1 UNL111111111111 0.1628 51 H 3.6017 -0.5746 2.1408 H 1 UNL111111111111 0.1399 52 H 4.8561 0.4920 1.5151 H 1 UNL111111111111 0.1508 53 H -0.1232 1.2616 2.7502 H 1 UNL111111111111 0.1540 54 H -0.2629 -0.4609 3.1696 H 1 UNL111111111111 0.1398 55 H 1.2473 0.1898 2.5114 H 1 UNL111111111111 0.1536 56 H 6.1684 -1.3464 1.1367 H 1 UNL111111111111 0.1584 57 H 6.4174 -2.7715 0.1255 H 1 UNL111111111111 0.1314 58 H 6.4944 -1.3678 -1.9479 H 1 UNL111111111111 0.1083 59 H -4.2004 1.5943 1.6688 H 1 UNL111111111111 0.1337 60 H -4.8450 0.2445 2.5968 H 1 UNL111111111111 0.1342 61 H -1.8815 -1.8841 2.7149 H 1 UNL111111111111 0.1439 62 H -2.9784 -2.1112 1.3460 H 1 UNL111111111111 0.1451 63 H -3.6246 -1.7918 2.9593 H 1 UNL111111111111 0.1415 64 H -0.3728 3.9652 0.5658 H 1 UNL111111111111 0.3062 65 H -4.2450 0.2088 -0.4346 H 1 UNL111111111111 0.1426 66 H -4.8115 -1.1912 0.4824 H 1 UNL111111111111 0.1375 67 H 8.3997 -1.4180 -0.5131 H 1 UNL111111111111 0.3115 68 H -6.3124 1.5079 0.3733 H 1 UNL111111111111 0.1413 69 H -6.8940 0.0321 1.1445 H 1 UNL111111111111 0.1343 70 H -8.0110 0.2890 -0.9972 H 1 UNL111111111111 0.1304 71 H -5.8877 -1.9097 -1.5060 H 1 UNL111111111111 0.1440 72 H -7.2021 -2.0779 -0.2802 H 1 UNL111111111111 0.1127 73 H -6.7278 0.3060 -3.1696 H 1 UNL111111111111 0.1560 74 H -5.2070 0.4452 -2.2878 H 1 UNL111111111111 0.1471 75 H -6.3984 1.7475 -2.1905 H 1 UNL111111111111 0.1396 76 H -8.6207 -1.6393 -2.1565 H 1 UNL111111111111 0.3077 @BOND 1 1 14 1 2 1 64 1 3 2 23 1 4 2 67 1 5 3 29 1 6 3 76 1 7 4 5 1 8 4 7 1 9 4 13 1 10 4 20 1 11 5 8 1 12 5 11 1 13 5 31 1 14 6 9 1 15 6 10 1 16 6 12 1 17 6 21 1 18 7 15 1 19 7 18 1 20 7 32 1 21 8 9 2 22 8 16 1 23 9 14 1 24 10 17 1 25 10 19 1 26 10 33 1 27 11 12 1 28 11 34 1 29 11 35 1 30 12 36 1 31 12 37 1 32 13 22 1 33 13 38 1 34 13 39 1 35 14 17 1 36 14 40 1 37 15 16 1 38 15 41 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 24 1 48 19 25 1 49 19 49 1 50 20 50 1 51 20 51 1 52 20 52 1 53 21 53 1 54 21 54 1 55 21 55 1 56 22 23 1 57 22 56 1 58 22 57 1 59 23 58 1 60 24 26 1 61 24 59 1 62 24 60 1 63 25 61 1 64 25 62 1 65 25 63 1 66 26 27 1 67 26 65 1 68 26 66 1 69 27 28 1 70 27 68 1 71 27 69 1 72 28 29 1 73 28 30 1 74 28 70 1 75 29 71 1 76 29 72 1 77 30 73 1 78 30 74 1 79 30 75 1