@MOLECULE 21-(~18~f)fluoro-17-hydroxypregna-1,4-diene-3,11,20-trione 51 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 5.8203 1.8343 0.0227 F 1 UNL1 -0.1700 2 C 0.7714 -1.2655 -0.3468 C.3 1 UNL1 -0.1530 3 C -0.5859 -1.1360 0.3425 C.3 1 UNL1 -0.1093 4 C -1.2350 0.1940 -0.1247 C.3 1 UNL1 -0.2447 5 C 1.7193 -0.1101 0.0868 C.3 1 UNL1 0.0423 6 C 3.0558 -0.5811 -0.5625 C.3 1 UNL1 0.1745 7 C -2.6247 0.4019 0.5424 C.3 1 UNL1 0.0426 8 C 4.8393 1.2671 -0.7199 C.3 1 UNL1 -0.1550 9 C 1.9056 0.0006 1.6010 C.3 1 UNL1 -0.4695 10 C -2.5259 0.6068 2.0640 C.3 1 UNL1 -0.4500 11 H 2.4674 -0.7241 -2.4568 H 1 UNL1 0.3348 12 O -0.5835 2.3729 0.6423 O.2 1 UNL1 -0.4585 13 O 4.8031 -0.3393 1.0433 O.2 1 UNL1 -0.3972 14 O -6.4312 0.5164 -1.1397 O.2 1 UNL1 -0.4470 15 C 1.1410 1.1949 -0.4509 C.3 1 UNL1 -0.4040 16 C 1.5996 -2.5329 -0.0873 C.3 1 UNL1 -0.2737 17 C -1.4975 -2.3159 -0.0142 C.3 1 UNL1 -0.2747 18 C 3.0514 -2.1185 -0.4166 C.3 1 UNL1 -0.3245 19 C -2.8558 -2.1457 0.6739 C.3 1 UNL1 -0.2972 20 O 3.0969 -0.2011 -1.9209 O.3 1 UNL1 -0.5777 21 C 4.2986 0.0767 0.0364 C.2 1 UNL1 0.4045 22 C -0.2680 1.3506 0.0900 C.2 1 UNL1 0.4824 23 C -5.3011 0.4755 -0.7076 C.2 1 UNL1 0.4746 24 C -3.2574 1.6503 -0.0224 C.2 1 UNL1 -0.0910 25 C -4.6788 -0.7880 -0.2791 C.2 1 UNL1 -0.3454 26 C -4.4683 1.6865 -0.5839 C.2 1 UNL1 -0.2984 27 C -3.4615 -0.8351 0.2779 C.2 1 UNL1 0.0830 28 H 0.5989 -1.1928 -1.4508 H 1 UNL1 0.1358 29 H -0.4500 -1.1137 1.4505 H 1 UNL1 0.1549 30 H -1.4154 0.1275 -1.2309 H 1 UNL1 0.1712 31 H 1.7580 2.0666 -0.1471 H 1 UNL1 0.1827 32 H 1.1360 1.2201 -1.5581 H 1 UNL1 0.1780 33 H 1.5095 -2.8634 0.9616 H 1 UNL1 0.1498 34 H 1.2653 -3.3794 -0.7051 H 1 UNL1 0.1397 35 H -1.6326 -2.3904 -1.1100 H 1 UNL1 0.1473 36 H -1.0300 -3.2685 0.2979 H 1 UNL1 0.1446 37 H 3.4175 -2.5997 -1.3381 H 1 UNL1 0.1540 38 H 3.7439 -2.4406 0.3845 H 1 UNL1 0.1747 39 H 2.3326 -0.9144 2.0320 H 1 UNL1 0.1664 40 H 2.5866 0.8212 1.8672 H 1 UNL1 0.1656 41 H 0.9629 0.2027 2.1229 H 1 UNL1 0.1567 42 H -3.5201 -2.9955 0.4142 H 1 UNL1 0.1563 43 H -2.7427 -2.1969 1.7774 H 1 UNL1 0.1595 44 H -2.6605 2.5612 0.0918 H 1 UNL1 0.1800 45 H -1.9597 1.5185 2.3066 H 1 UNL1 0.1764 46 H -3.5229 0.7177 2.5102 H 1 UNL1 0.1611 47 H -2.0297 -0.2298 2.5635 H 1 UNL1 0.1466 48 H -5.2824 -1.6771 -0.4549 H 1 UNL1 0.1783 49 H -4.9162 2.6023 -0.9686 H 1 UNL1 0.1803 50 H 4.0400 2.0191 -0.9250 H 1 UNL1 0.1661 51 H 5.2534 0.9427 -1.7086 H 1 UNL1 0.1762 @BOND 1 11 20 1 2 20 6 1 3 51 8 1 4 32 15 1 5 28 2 1 6 37 18 1 7 30 4 1 8 14 23 2 9 35 17 1 10 49 26 1 11 50 8 1 12 8 1 1 13 8 21 1 14 23 26 1 15 23 25 1 16 34 16 1 17 26 24 2 18 6 18 1 19 6 21 1 20 6 5 1 21 48 25 1 22 15 31 1 23 15 5 1 24 15 22 1 25 18 16 1 26 18 38 1 27 2 16 1 28 2 5 1 29 2 3 1 30 25 27 2 31 4 22 1 32 4 3 1 33 4 7 1 34 16 33 1 35 24 44 1 36 24 7 1 37 17 36 1 38 17 3 1 39 17 19 1 40 21 13 2 41 5 9 1 42 22 12 2 43 27 7 1 44 27 19 1 45 3 29 1 46 42 19 1 47 7 10 1 48 19 43 1 49 9 40 1 50 9 39 1 51 9 41 1 52 10 45 1 53 10 46 1 54 10 47 1