@MOLECULE (11beta,16beta)-21-chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl butyrate 67 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.7249 -0.6752 0.2849 C.3 1 UNL1 0.0607 2 C 2.1210 0.0933 -0.1659 C.3 1 UNL1 0.1790 3 C -2.2003 -0.3234 0.6880 C.3 1 UNL1 0.1434 4 C 3.6110 -0.3906 -0.2568 C.3 1 UNL1 -0.0121 5 C 0.0820 0.1854 1.2939 C.3 1 UNL1 -0.1413 6 C 1.5567 -0.1946 1.2509 C.3 1 UNL1 -0.1628 7 C 1.2104 -0.3829 -1.3547 C.3 1 UNL1 0.1244 8 C -2.1583 0.0170 2.2121 C.3 1 UNL1 -0.1005 9 C -3.7726 -1.3075 -1.1371 C.3 1 UNL1 -0.2991 10 C -3.8191 2.7187 -0.6255 C.3 1 UNL1 -0.3445 11 C -5.2906 3.1259 -0.7754 C.3 1 UNL1 -0.2310 12 C -0.5370 -2.1824 0.4891 C.3 1 UNL1 -0.4837 13 C 3.7733 -1.9093 -0.0617 C.3 1 UNL1 -0.4410 14 C -2.9917 -0.8824 3.1098 C.3 1 UNL1 -0.4533 15 C -5.4265 4.4158 -1.5774 C.3 1 UNL1 -0.4433 16 H 1.0699 -2.3628 -1.2087 H 1 UNL1 0.3272 17 O -3.4042 -2.3809 0.9246 O.2 1 UNL1 -0.3949 18 O -4.6194 0.8261 0.6745 O.2 1 UNL1 -0.5003 19 O 7.1741 1.6380 -0.8969 O.2 1 UNL1 -0.4532 20 C -0.3030 -0.2434 -1.1175 C.3 1 UNL1 -0.3537 21 C -0.6620 -0.0169 2.6183 C.3 1 UNL1 -0.2937 22 C 2.3652 0.5675 2.3071 C.3 1 UNL1 -0.2659 23 C 3.8393 0.1532 2.2414 C.3 1 UNL1 -0.2996 24 O 1.5461 -1.6902 -1.7361 O.3 1 UNL1 -0.5639 25 C -3.1686 -1.4176 0.2449 C.2 1 UNL1 0.4253 26 C -3.7427 1.4122 0.0957 C.2 1 UNL1 0.6044 27 O -2.4896 0.8836 -0.0210 O.3 1 UNL1 -0.4676 28 C 6.0983 1.1126 -0.7154 C.2 1 UNL1 0.4796 29 CL -3.0439 -2.5952 -2.1054 Cl 1 UNL1 -0.1100 30 C 4.1552 -0.0792 -1.6260 C.2 1 UNL1 -0.0776 31 C 5.5285 0.9553 0.6322 C.2 1 UNL1 -0.3457 32 C 5.2885 0.5951 -1.8363 C.2 1 UNL1 -0.2932 33 F 2.1744 1.4426 -0.3189 F 1 UNL1 -0.2268 34 C 4.3853 0.2925 0.8535 C.2 1 UNL1 0.0973 35 H -0.0242 1.2646 1.0083 H 1 UNL1 0.1627 36 H 1.6644 -1.2886 1.4581 H 1 UNL1 0.1546 37 H 1.4909 0.1905 -2.2794 H 1 UNL1 0.1560 38 H -0.8376 -0.8251 -1.8937 H 1 UNL1 0.1694 39 H -0.5955 0.8142 -1.2936 H 1 UNL1 0.1744 40 H -2.5324 1.0654 2.3277 H 1 UNL1 0.1489 41 H 3.5689 -0.4862 -2.4550 H 1 UNL1 0.1677 42 H -0.3938 -0.9748 3.0935 H 1 UNL1 0.1494 43 H -0.4306 0.7680 3.3536 H 1 UNL1 0.1426 44 H 6.1017 1.4268 1.4288 H 1 UNL1 0.1786 45 H 2.2672 1.6625 2.1752 H 1 UNL1 0.1581 46 H 1.9605 0.3596 3.3161 H 1 UNL1 0.1430 47 H 5.6846 0.7984 -2.8307 H 1 UNL1 0.1780 48 H 4.4237 0.7627 2.9629 H 1 UNL1 0.1574 49 H 3.9600 -0.8961 2.5842 H 1 UNL1 0.1561 50 H -1.0053 -2.7700 -0.3103 H 1 UNL1 0.1646 51 H 0.5205 -2.4702 0.5316 H 1 UNL1 0.1491 52 H -0.9844 -2.5256 1.4352 H 1 UNL1 0.1763 53 H 3.4184 -2.4706 -0.9383 H 1 UNL1 0.1758 54 H 4.8330 -2.1696 0.0692 H 1 UNL1 0.1601 55 H 3.2325 -2.2793 0.8131 H 1 UNL1 0.1449 56 H -4.8674 -1.4760 -1.1045 H 1 UNL1 0.1926 57 H -3.5699 -0.3631 -1.6640 H 1 UNL1 0.1735 58 H -2.6734 -1.9324 3.0660 H 1 UNL1 0.1642 59 H -2.9262 -0.5622 4.1563 H 1 UNL1 0.1460 60 H -4.0547 -0.8601 2.8270 H 1 UNL1 0.1674 61 H -3.3205 2.6547 -1.6159 H 1 UNL1 0.1810 62 H -3.2501 3.4937 -0.0670 H 1 UNL1 0.1825 63 H -5.8650 2.3117 -1.2619 H 1 UNL1 0.1486 64 H -5.7525 3.2444 0.2270 H 1 UNL1 0.1537 65 H -4.8650 5.2403 -1.1244 H 1 UNL1 0.1459 66 H -5.0681 4.2955 -2.6063 H 1 UNL1 0.1452 67 H -6.4756 4.7341 -1.6364 H 1 UNL1 0.1492 @BOND 1 47 32 1 2 66 15 1 3 41 30 1 4 37 7 1 5 29 9 1 6 38 20 1 7 32 30 2 8 32 28 1 9 24 7 1 10 24 16 1 11 57 9 1 12 67 15 1 13 30 4 1 14 61 10 1 15 15 65 1 16 15 11 1 17 7 20 1 18 7 2 1 19 39 20 1 20 63 11 1 21 9 56 1 22 9 25 1 23 20 1 1 24 53 13 1 25 19 28 2 26 11 10 1 27 11 64 1 28 28 31 1 29 10 62 1 30 10 26 1 31 33 2 1 32 50 12 1 33 4 2 1 34 4 13 1 35 4 34 1 36 2 6 1 37 13 54 1 38 13 55 1 39 27 26 1 40 27 3 1 41 26 18 2 42 25 3 1 43 25 17 2 44 1 12 1 45 1 3 1 46 1 5 1 47 12 51 1 48 12 52 1 49 31 34 2 50 31 44 1 51 3 8 1 52 34 23 1 53 35 5 1 54 6 5 1 55 6 36 1 56 6 22 1 57 5 21 1 58 45 22 1 59 8 40 1 60 8 21 1 61 8 14 1 62 23 22 1 63 23 49 1 64 23 48 1 65 22 46 1 66 21 42 1 67 21 43 1 68 60 14 1 69 58 14 1 70 14 59 1