@MOLECULE (3alpha,5beta,11alpha,13xi,20s)-11,18:18,20-diepoxypregnan-3-ol 56 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7535 1.8895 0.0001 O.3 1 UNL1111111111 -0.4213 2 O 3.0329 1.9930 -0.5799 O.3 1 UNL1111111111 -0.4604 3 O -4.5503 1.6054 -1.7317 O.3 1 UNL1111111111 -0.5720 4 C 2.0155 -0.0815 -0.3476 C.3 1 UNL1111111111 -0.0372 5 C 1.2630 -1.3201 -0.8150 C.3 1 UNL1111111111 -0.1342 6 C -0.6677 -0.0575 0.2853 C.3 1 UNL1111111111 -0.1885 7 C -0.0662 -1.4560 -0.0421 C.3 1 UNL1111111111 -0.1171 8 C 3.4617 -0.3256 -0.7880 C.3 1 UNL1111111111 -0.2017 9 C 0.3831 0.8708 0.9559 C.3 1 UNL1111111111 0.1138 10 C 1.7019 0.1134 1.1647 C.3 1 UNL1111111111 -0.3363 11 C -1.9604 -0.2061 1.1198 C.3 1 UNL1111111111 0.0770 12 C 1.7698 1.3591 -0.8295 C.3 1 UNL1111111111 0.2980 13 C 2.3224 -2.4353 -0.5100 C.3 1 UNL1111111111 -0.2747 14 C 3.6990 -1.7301 -0.2352 C.3 1 UNL1111111111 -0.2559 15 C -2.9805 -1.1093 0.3654 C.3 1 UNL1111111111 -0.1076 16 C -1.0752 -2.2886 -0.8418 C.3 1 UNL1111111111 -0.2798 17 C 4.1109 1.0281 -0.4503 C.3 1 UNL1111111111 0.1455 18 C -2.3623 -2.4635 -0.0292 C.3 1 UNL1111111111 -0.2826 19 C -2.6173 1.1724 1.3868 C.3 1 UNL1111111111 -0.2934 20 C -3.5468 -0.4293 -0.8926 C.3 1 UNL1111111111 -0.3530 21 C -1.6576 -0.8289 2.4968 C.3 1 UNL1111111111 -0.4706 22 C -3.1477 1.8429 0.1212 C.3 1 UNL1111111111 -0.2974 23 C -4.1752 0.9239 -0.5430 C.3 1 UNL1111111111 0.1649 24 C 4.7546 1.1693 0.9186 C.3 1 UNL1111111111 -0.4843 25 H 1.0614 -1.2812 -1.9049 H 1 UNL1111111111 0.1413 26 H -0.9466 0.4285 -0.6856 H 1 UNL1111111111 0.1694 27 H 0.1316 -1.9866 0.9206 H 1 UNL1111111111 0.1398 28 H 3.5071 -0.4150 -1.9071 H 1 UNL1111111111 0.1488 29 H 0.0125 1.4351 1.8234 H 1 UNL1111111111 0.1438 30 H 2.4415 0.7475 1.6782 H 1 UNL1111111111 0.1661 31 H 1.6281 -0.8139 1.7378 H 1 UNL1111111111 0.1501 32 H 1.4877 1.5921 -1.8637 H 1 UNL1111111111 0.1376 33 H 2.4060 -3.1232 -1.3617 H 1 UNL1111111111 0.1343 34 H 2.0249 -3.0391 0.3572 H 1 UNL1111111111 0.1363 35 H 3.9292 -1.7211 0.8403 H 1 UNL1111111111 0.1401 36 H 4.5263 -2.2518 -0.7333 H 1 UNL1111111111 0.1352 37 H -3.8315 -1.3060 1.0630 H 1 UNL1111111111 0.1291 38 H -0.6427 -3.2764 -1.0861 H 1 UNL1111111111 0.1336 39 H -1.2947 -1.8068 -1.8128 H 1 UNL1111111111 0.1416 40 H 4.8164 1.3553 -1.2469 H 1 UNL1111111111 0.1282 41 H -3.0956 -3.0565 -0.6062 H 1 UNL1111111111 0.1328 42 H -2.1541 -3.0573 0.8806 H 1 UNL1111111111 0.1357 43 H -1.8930 1.8474 1.8822 H 1 UNL1111111111 0.1470 44 H -3.4443 1.0455 2.1115 H 1 UNL1111111111 0.1362 45 H -2.7482 -0.2745 -1.6446 H 1 UNL1111111111 0.1624 46 H -4.2898 -1.0877 -1.3744 H 1 UNL1111111111 0.1327 47 H -0.9532 -0.2149 3.0672 H 1 UNL1111111111 0.1471 48 H -2.5676 -0.9314 3.0945 H 1 UNL1111111111 0.1431 49 H -1.2181 -1.8271 2.4055 H 1 UNL1111111111 0.1459 50 H -3.6067 2.8221 0.3535 H 1 UNL1111111111 0.1512 51 H -2.3260 2.0723 -0.5873 H 1 UNL1111111111 0.1686 52 H -5.0888 0.8062 0.0786 H 1 UNL1111111111 0.1077 53 H 4.5029 2.1500 1.3529 H 1 UNL1111111111 0.1742 54 H 4.4255 0.4012 1.6256 H 1 UNL1111111111 0.1500 55 H 5.8464 1.1091 0.8551 H 1 UNL1111111111 0.1491 56 H -5.1172 1.0474 -2.2915 H 1 UNL1111111111 0.3098 @BOND 1 1 9 1 2 1 12 1 3 2 12 1 4 2 17 1 5 3 23 1 6 3 56 1 7 4 5 1 8 4 8 1 9 4 10 1 10 4 12 1 11 5 7 1 12 5 13 1 13 5 25 1 14 6 7 1 15 6 9 1 16 6 11 1 17 6 26 1 18 7 16 1 19 7 27 1 20 8 14 1 21 8 17 1 22 8 28 1 23 9 10 1 24 9 29 1 25 10 30 1 26 10 31 1 27 11 15 1 28 11 19 1 29 11 21 1 30 12 32 1 31 13 14 1 32 13 33 1 33 13 34 1 34 14 35 1 35 14 36 1 36 15 18 1 37 15 20 1 38 15 37 1 39 16 18 1 40 16 38 1 41 16 39 1 42 17 24 1 43 17 40 1 44 18 41 1 45 18 42 1 46 19 22 1 47 19 43 1 48 19 44 1 49 20 23 1 50 20 45 1 51 20 46 1 52 21 47 1 53 21 48 1 54 21 49 1 55 22 23 1 56 22 50 1 57 22 51 1 58 23 52 1 59 24 53 1 60 24 54 1 61 24 55 1