@MOLECULE (3beta)-21,21-dichloro-3-hydroxypregn-5-en-20-one 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 CL 4.8466 1.7319 1.0802 Cl 1 UNL1111111111 -0.0649 2 CL 5.2674 0.7333 -1.5946 Cl 1 UNL1111111111 -0.0827 3 O -6.8262 1.5464 -0.5836 O.3 1 UNL1111111111 -0.5730 4 O 4.3489 -1.1364 0.8766 O.2 1 UNL1111111111 -0.3671 5 C 1.1559 -0.4177 0.1060 C.3 1 UNL1111111111 0.0895 6 C 0.1094 -1.4653 -0.3683 C.3 1 UNL1111111111 -0.1367 7 C -1.2511 -1.2352 0.2896 C.3 1 UNL1111111111 -0.1201 8 C -1.7539 0.1707 -0.1294 C.3 1 UNL1111111111 -0.1327 9 C -3.1169 0.4680 0.5577 C.3 1 UNL1111111111 0.0573 10 C 0.6847 0.9480 -0.4045 C.3 1 UNL1111111111 -0.3024 11 C 2.4441 -0.9833 -0.5713 C.3 1 UNL1111111111 -0.2503 12 C -0.7071 1.2599 0.1752 C.3 1 UNL1111111111 -0.2711 13 C 0.8099 -2.8106 -0.1327 C.3 1 UNL1111111111 -0.2777 14 C 2.2921 -2.5235 -0.4677 C.3 1 UNL1111111111 -0.2555 15 C -2.2424 -2.3217 -0.1610 C.3 1 UNL1111111111 -0.2850 16 C -4.0676 -0.6730 0.2731 C.2 1 UNL1111111111 -0.0074 17 C 1.3608 -0.3796 1.6231 C.3 1 UNL1111111111 -0.4698 18 C -3.7303 1.7823 0.0079 C.3 1 UNL1111111111 -0.2852 19 C -3.6684 -1.9170 -0.0088 C.2 1 UNL1111111111 -0.2050 20 C -2.9738 0.5910 2.0861 C.3 1 UNL1111111111 -0.4557 21 C -5.5178 -0.3021 0.2792 C.3 1 UNL1111111111 -0.3523 22 C -4.5806 1.5306 -1.2391 C.3 1 UNL1111111111 -0.2950 23 C 3.6908 -0.4939 0.1065 C.2 1 UNL1111111111 0.4238 24 C -5.7872 0.6369 -0.9143 C.3 1 UNL1111111111 0.1774 25 C 4.1051 0.9206 -0.2833 C.3 1 UNL1111111111 -0.1433 26 H -0.0274 -1.3436 -1.4733 H 1 UNL1111111111 0.1390 27 H -1.1549 -1.2781 1.3982 H 1 UNL1111111111 0.1450 28 H -1.9323 0.1581 -1.2324 H 1 UNL1111111111 0.1400 29 H 0.6423 0.9590 -1.5090 H 1 UNL1111111111 0.1402 30 H 1.3854 1.7499 -0.1109 H 1 UNL1111111111 0.1332 31 H 2.4590 -0.6893 -1.6465 H 1 UNL1111111111 0.1623 32 H -0.6218 1.4052 1.2691 H 1 UNL1111111111 0.1465 33 H -1.0544 2.2299 -0.2302 H 1 UNL1111111111 0.1377 34 H 0.3944 -3.6090 -0.7639 H 1 UNL1111111111 0.1352 35 H 0.6941 -3.1470 0.9104 H 1 UNL1111111111 0.1438 36 H 2.9547 -2.9395 0.3131 H 1 UNL1111111111 0.1617 37 H 2.5906 -3.0062 -1.4108 H 1 UNL1111111111 0.1384 38 H -2.0446 -3.2548 0.4060 H 1 UNL1111111111 0.1471 39 H -2.0632 -2.5805 -1.2278 H 1 UNL1111111111 0.1485 40 H 2.0288 0.4354 1.9232 H 1 UNL1111111111 0.1485 41 H 0.4168 -0.2324 2.1603 H 1 UNL1111111111 0.1566 42 H 1.7956 -1.3160 1.9969 H 1 UNL1111111111 0.1627 43 H -2.9412 2.5218 -0.2105 H 1 UNL1111111111 0.1369 44 H -4.3675 2.2544 0.7832 H 1 UNL1111111111 0.1547 45 H -4.3829 -2.7188 -0.1856 H 1 UNL1111111111 0.1449 46 H -2.3705 1.4599 2.3664 H 1 UNL1111111111 0.1458 47 H -3.9527 0.7019 2.5669 H 1 UNL1111111111 0.1486 48 H -2.5054 -0.3007 2.5176 H 1 UNL1111111111 0.1502 49 H -6.1756 -1.1878 0.2371 H 1 UNL1111111111 0.1428 50 H -5.7780 0.2203 1.2243 H 1 UNL1111111111 0.1679 51 H -4.9490 2.4946 -1.6478 H 1 UNL1111111111 0.1618 52 H -3.9717 1.0651 -2.0349 H 1 UNL1111111111 0.1422 53 H -6.1159 0.0656 -1.8099 H 1 UNL1111111111 0.1093 54 H 3.2808 1.5637 -0.6501 H 1 UNL1111111111 0.1825 55 H -7.6318 1.0751 -0.3068 H 1 UNL1111111111 0.3112 @BOND 1 1 25 1 2 2 25 1 3 3 24 1 4 3 55 1 5 4 23 2 6 5 6 1 7 5 10 1 8 5 11 1 9 5 17 1 10 6 7 1 11 6 13 1 12 6 26 1 13 7 8 1 14 7 15 1 15 7 27 1 16 8 9 1 17 8 12 1 18 8 28 1 19 9 16 1 20 9 18 1 21 9 20 1 22 10 12 1 23 10 29 1 24 10 30 1 25 11 14 1 26 11 23 1 27 11 31 1 28 12 32 1 29 12 33 1 30 13 14 1 31 13 34 1 32 13 35 1 33 14 36 1 34 14 37 1 35 15 19 1 36 15 38 1 37 15 39 1 38 16 19 2 39 16 21 1 40 17 40 1 41 17 41 1 42 17 42 1 43 18 22 1 44 18 43 1 45 18 44 1 46 19 45 1 47 20 46 1 48 20 47 1 49 20 48 1 50 21 24 1 51 21 49 1 52 21 50 1 53 22 24 1 54 22 51 1 55 22 52 1 56 23 25 1 57 24 53 1 58 25 54 1