@MOLECULE 21-chloro-6a,9-difluoro-11b,17-dihydroxy-16b-methylpregna-1,4-diene-3,20-dione 17-propionate 64 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.5380 0.4545 0.3539 C.3 1 UNL1 0.1428 2 C -1.1082 -0.1733 0.5190 C.3 1 UNL1 0.0620 3 C -2.4396 1.9015 0.9350 C.3 1 UNL1 -0.1022 4 C -0.2097 1.0916 0.4469 C.3 1 UNL1 -0.1380 5 C 1.2268 0.7406 0.8169 C.3 1 UNL1 -0.1587 6 C 0.8138 -1.4707 -0.5499 C.3 1 UNL1 0.1269 7 C 1.7813 -0.2783 -0.2162 C.3 1 UNL1 0.1735 8 C 3.2314 -0.7250 0.1864 C.3 1 UNL1 -0.0038 9 C 3.5458 1.5738 1.2362 C.3 1 UNL1 0.0816 10 C -4.2274 -1.5004 0.0240 C.3 1 UNL1 -0.2987 11 C -3.7754 1.2227 -3.0225 C.3 1 UNL1 -0.3203 12 C -1.0530 -0.8668 1.8838 C.3 1 UNL1 -0.4831 13 C -3.3714 2.2025 2.0955 C.3 1 UNL1 -0.4543 14 C -5.1320 1.5852 -3.6130 C.3 1 UNL1 -0.4220 15 C 3.2915 -1.4602 1.5376 C.3 1 UNL1 -0.4444 16 H 0.5088 -2.4691 1.1456 H 1 UNL1 0.3284 17 O -3.9157 -0.4332 2.0981 O.2 1 UNL1 -0.3933 18 O -4.8211 1.3022 -0.8149 O.2 1 UNL1 -0.4899 19 O 6.9021 -0.3244 -1.7008 O.2 1 UNL1 -0.4377 20 C -0.6774 -1.1061 -0.6100 C.3 1 UNL1 -0.3563 21 C -0.9512 2.1089 1.3212 C.3 1 UNL1 -0.2913 22 C 2.1125 1.9879 0.8617 C.3 1 UNL1 -0.3205 23 O 1.0421 -2.5400 0.3266 O.3 1 UNL1 -0.5648 24 C -3.6083 -0.4649 0.9360 C.2 1 UNL1 0.4222 25 C -3.8896 1.0733 -1.5374 C.2 1 UNL1 0.6071 26 O -2.7170 0.5612 -1.0566 O.3 1 UNL1 -0.4796 27 C 5.7972 -0.4072 -1.2130 C.2 1 UNL1 0.4690 28 CL -3.5634 -3.0640 0.5135 Cl 1 UNL1 -0.1088 29 C 3.7463 -1.6975 -0.8426 C.2 1 UNL1 -0.0755 30 C 5.2645 0.6455 -0.3238 C.2 1 UNL1 -0.2855 31 C 4.9157 -1.5604 -1.4712 C.2 1 UNL1 -0.2918 32 F 1.9245 0.3726 -1.3993 F 1 UNL1 -0.2216 33 F 4.3232 2.6845 1.1954 F 1 UNL1 -0.2066 34 C 4.0902 0.5197 0.3029 C.2 1 UNL1 0.0056 35 H -2.6855 2.6090 0.1026 H 1 UNL1 0.1489 36 H -0.2273 1.4799 -0.6058 H 1 UNL1 0.1637 37 H 1.2436 0.2621 1.8276 H 1 UNL1 0.1548 38 H 1.1185 -1.9241 -1.5322 H 1 UNL1 0.1555 39 H 3.5770 1.1837 2.2955 H 1 UNL1 0.1457 40 H -1.2712 -2.0412 -0.6062 H 1 UNL1 0.1702 41 H -0.8910 -0.6341 -1.5939 H 1 UNL1 0.1757 42 H -1.5967 -1.8192 1.8920 H 1 UNL1 0.1640 43 H -0.0257 -1.0758 2.2058 H 1 UNL1 0.1482 44 H -1.5017 -0.2439 2.6734 H 1 UNL1 0.1768 45 H -0.6293 3.1432 1.1278 H 1 UNL1 0.1450 46 H -0.7826 1.9284 2.3951 H 1 UNL1 0.1499 47 H -3.1743 1.5694 2.9704 H 1 UNL1 0.1647 48 H -3.2791 3.2468 2.4158 H 1 UNL1 0.1478 49 H -4.4243 2.0399 1.8180 H 1 UNL1 0.1676 50 H -5.3259 -1.5374 0.1567 H 1 UNL1 0.1923 51 H -4.0022 -1.3758 -1.0451 H 1 UNL1 0.1736 52 H -3.3788 0.2882 -3.4766 H 1 UNL1 0.1783 53 H -3.0173 2.0022 -3.2618 H 1 UNL1 0.1813 54 H 2.0946 2.5334 -0.1035 H 1 UNL1 0.1748 55 H 1.7204 2.7157 1.6023 H 1 UNL1 0.1594 56 H -5.8869 0.8147 -3.4055 H 1 UNL1 0.1576 57 H -5.5177 2.5236 -3.1894 H 1 UNL1 0.1622 58 H -5.0769 1.7081 -4.7010 H 1 UNL1 0.1498 59 H 3.1029 -2.5652 -1.0165 H 1 UNL1 0.1678 60 H 2.9174 -2.4912 1.4491 H 1 UNL1 0.1788 61 H 4.3295 -1.5342 1.8910 H 1 UNL1 0.1620 62 H 2.7074 -0.9676 2.3187 H 1 UNL1 0.1436 63 H 5.9136 1.5192 -0.2394 H 1 UNL1 0.1909 64 H 5.2865 -2.2814 -2.1986 H 1 UNL1 0.1787 @BOND 1 58 14 1 2 14 56 1 3 14 57 1 4 14 11 1 5 52 11 1 6 53 11 1 7 11 25 1 8 64 31 1 9 19 27 2 10 41 20 1 11 25 26 1 12 25 18 2 13 38 6 1 14 31 27 1 15 31 29 2 16 32 7 1 17 27 30 1 18 26 1 1 19 51 10 1 20 59 29 1 21 29 8 1 22 20 40 1 23 20 6 1 24 20 2 1 25 36 4 1 26 6 7 1 27 6 23 1 28 30 63 1 29 30 34 2 30 7 8 1 31 7 5 1 32 54 22 1 33 10 50 1 34 10 28 1 35 10 24 1 36 35 3 1 37 8 34 1 38 8 15 1 39 34 9 1 40 23 16 1 41 1 2 1 42 1 3 1 43 1 24 1 44 4 2 1 45 4 5 1 46 4 21 1 47 2 12 1 48 5 22 1 49 5 37 1 50 22 9 1 51 22 55 1 52 3 21 1 53 3 13 1 54 24 17 2 55 45 21 1 56 33 9 1 57 9 39 1 58 21 46 1 59 60 15 1 60 15 61 1 61 15 62 1 62 49 13 1 63 12 42 1 64 12 43 1 65 12 44 1 66 13 48 1 67 13 47 1