@MOLECULE (3beta,5alpha)-3-hydroxy-3-(trifluoromethyl)pregnan-20-one 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 F 3.7972 0.3351 1.9043 F 1 UNL1111111111 -0.2140 2 F 5.2400 -0.9965 1.1482 F 1 UNL1111111111 -0.1985 3 F 5.5842 1.0751 1.0856 F 1 UNL1111111111 -0.2229 4 O 5.1338 0.1566 -1.3983 O.3 1 UNL1111111111 -0.5458 5 O -6.6179 0.1363 -0.4116 O.2 1 UNL1111111111 -0.4652 6 C -0.3576 0.2942 0.0350 C.3 1 UNL1111111111 -0.1380 7 C -1.1529 -0.9913 -0.3206 C.3 1 UNL1111111111 -0.1210 8 C -2.4542 -0.9551 0.4808 C.3 1 UNL1111111111 -0.1427 9 C 1.0074 0.3241 -0.7169 C.3 1 UNL1111111111 0.0685 10 C -3.3340 0.2609 0.0687 C.3 1 UNL1111111111 0.0905 11 C 1.7826 -0.9553 -0.2988 C.3 1 UNL1111111111 -0.1156 12 C -1.1994 1.5570 -0.2346 C.3 1 UNL1111111111 -0.2786 13 C -2.5690 1.5280 0.4695 C.3 1 UNL1111111111 -0.3009 14 C -0.3406 -2.2461 0.0313 C.3 1 UNL1111111111 -0.2843 15 C -4.6258 -0.0319 0.8902 C.3 1 UNL1111111111 -0.2557 16 C -3.4136 -2.1481 0.3737 C.3 1 UNL1111111111 -0.2793 17 C 1.0127 -2.2276 -0.6847 C.3 1 UNL1111111111 -0.2767 18 C 1.8286 1.5430 -0.2313 C.3 1 UNL1111111111 -0.2881 19 C -4.7752 -1.5749 0.8320 C.3 1 UNL1111111111 -0.2604 20 C 3.1865 -0.9952 -0.9090 C.3 1 UNL1111111111 -0.3166 21 C 0.8063 0.4157 -2.2338 C.3 1 UNL1111111111 -0.4597 22 C 4.0123 0.2413 -0.5488 C.3 1 UNL1111111111 0.2708 23 C -3.6803 0.2988 -1.4233 C.3 1 UNL1111111111 -0.4675 24 C 3.2613 1.5552 -0.7731 C.3 1 UNL1111111111 -0.3330 25 C -5.8375 0.6766 0.3320 C.2 1 UNL1111111111 0.4952 26 C 4.6362 0.1579 0.8881 C.3 1 UNL1111111111 0.4861 27 C -6.0502 2.0973 0.7729 C.3 1 UNL1111111111 -0.5564 28 H -0.1368 0.2620 1.1308 H 1 UNL1111111111 0.1383 29 H -1.3764 -1.0039 -1.4113 H 1 UNL1111111111 0.1428 30 H -2.1828 -0.8395 1.5618 H 1 UNL1111111111 0.1383 31 H 1.8746 -0.9464 0.8162 H 1 UNL1111111111 0.1471 32 H -1.3500 1.6839 -1.3229 H 1 UNL1111111111 0.1435 33 H -0.6458 2.4533 0.1020 H 1 UNL1111111111 0.1336 34 H -2.4302 1.5663 1.5650 H 1 UNL1111111111 0.1389 35 H -3.1390 2.4348 0.1997 H 1 UNL1111111111 0.1359 36 H -0.9082 -3.1519 -0.2524 H 1 UNL1111111111 0.1385 37 H -0.1921 -2.3129 1.1253 H 1 UNL1111111111 0.1408 38 H -4.4700 0.2842 1.9457 H 1 UNL1111111111 0.1519 39 H -3.0945 -2.9933 1.0000 H 1 UNL1111111111 0.1347 40 H -3.4691 -2.5267 -0.6596 H 1 UNL1111111111 0.1422 41 H 1.5977 -3.1252 -0.4092 H 1 UNL1111111111 0.1393 42 H 0.8715 -2.2827 -1.7791 H 1 UNL1111111111 0.1404 43 H 1.8300 1.5738 0.8739 H 1 UNL1111111111 0.1503 44 H 1.3254 2.4789 -0.5450 H 1 UNL1111111111 0.1437 45 H -5.5759 -1.8680 0.1276 H 1 UNL1111111111 0.1636 46 H -5.0677 -1.9741 1.8142 H 1 UNL1111111111 0.1333 47 H 3.7112 -1.9266 -0.6189 H 1 UNL1111111111 0.1670 48 H 3.1256 -1.0586 -2.0182 H 1 UNL1111111111 0.1729 49 H 0.1520 -0.3817 -2.6057 H 1 UNL1111111111 0.1490 50 H 0.3523 1.3694 -2.5222 H 1 UNL1111111111 0.1421 51 H 1.7550 0.3318 -2.7748 H 1 UNL1111111111 0.1482 52 H -4.3086 -0.5555 -1.7102 H 1 UNL1111111111 0.1650 53 H -4.2355 1.2070 -1.6828 H 1 UNL1111111111 0.1471 54 H -2.7874 0.2711 -2.0556 H 1 UNL1111111111 0.1488 55 H 3.2308 1.7463 -1.8694 H 1 UNL1111111111 0.1660 56 H 3.8096 2.4151 -0.3427 H 1 UNL1111111111 0.1535 57 H 5.6058 1.0105 -1.4920 H 1 UNL1111111111 0.3288 58 H -6.4638 2.1282 1.7903 H 1 UNL1111111111 0.1756 59 H -5.1209 2.6780 0.7723 H 1 UNL1111111111 0.1683 60 H -6.7700 2.6121 0.1188 H 1 UNL1111111111 0.1804 @BOND 1 1 26 1 2 2 26 1 3 3 26 1 4 4 22 1 5 4 57 1 6 5 25 2 7 6 7 1 8 6 9 1 9 6 12 1 10 6 28 1 11 7 8 1 12 7 14 1 13 7 29 1 14 8 10 1 15 8 16 1 16 8 30 1 17 9 11 1 18 9 18 1 19 9 21 1 20 10 13 1 21 10 15 1 22 10 23 1 23 11 17 1 24 11 20 1 25 11 31 1 26 12 13 1 27 12 32 1 28 12 33 1 29 13 34 1 30 13 35 1 31 14 17 1 32 14 36 1 33 14 37 1 34 15 19 1 35 15 25 1 36 15 38 1 37 16 19 1 38 16 39 1 39 16 40 1 40 17 41 1 41 17 42 1 42 18 24 1 43 18 43 1 44 18 44 1 45 19 45 1 46 19 46 1 47 20 22 1 48 20 47 1 49 20 48 1 50 21 49 1 51 21 50 1 52 21 51 1 53 22 24 1 54 22 26 1 55 23 52 1 56 23 53 1 57 23 54 1 58 24 55 1 59 24 56 1 60 25 27 1 61 27 58 1 62 27 59 1 63 27 60 1