@MOLECULE (11beta,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate 71 74 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.1141 -1.4304 -0.1974 C.3 1 UNL1 -0.1459 2 C -2.4049 -1.0487 0.5199 C.3 1 UNL1 -0.1628 3 C 0.0201 -0.4203 0.1303 C.3 1 UNL1 0.0343 4 C -2.8567 0.3445 0.0007 C.3 1 UNL1 0.1739 5 C 1.2231 -1.1189 -0.5851 C.3 1 UNL1 0.1552 6 C -4.1886 0.7905 0.6993 C.3 1 UNL1 -0.0127 7 C -1.7321 1.4357 0.0250 C.3 1 UNL1 0.1209 8 C 0.9796 -2.6530 -0.4165 C.3 1 UNL1 -0.1176 9 C 3.4399 0.0408 -1.1979 C.3 1 UNL1 -0.1079 10 C 6.5083 0.7600 0.6481 C.3 1 UNL1 -0.3502 11 C 7.7696 1.0601 -0.1688 C.3 1 UNL1 -0.2574 12 C 8.7591 1.8920 0.6569 C.3 1 UNL1 -0.2447 13 C 0.3227 -0.3142 1.6264 C.3 1 UNL1 -0.4646 14 C -4.0577 0.9560 2.2220 C.3 1 UNL1 -0.4422 15 C 1.9803 -3.3449 0.4945 C.3 1 UNL1 -0.4584 16 C 9.9936 2.2418 -0.1734 C.3 1 UNL1 -0.4394 17 H 0.3979 -1.1426 -2.4029 H 1 UNL1 0.3365 18 H -1.1943 1.4466 1.9398 H 1 UNL1 0.3246 19 O 2.9696 -0.7283 1.0029 O.2 1 UNL1 -0.4292 20 O -7.6901 1.4133 -1.4459 O.2 1 UNL1 -0.4503 21 O 5.6734 -1.2293 -0.4853 O.2 1 UNL1 -0.5036 22 C -0.3552 0.9423 -0.4462 C.3 1 UNL1 -0.3533 23 C -0.4746 -2.7916 0.1135 C.3 1 UNL1 -0.2960 24 C -3.4961 -2.1015 0.2832 C.3 1 UNL1 -0.2653 25 C -4.8256 -1.6668 0.9138 C.3 1 UNL1 -0.2993 26 O 1.2050 -0.8040 -1.9644 O.3 1 UNL1 -0.5842 27 O -1.6542 2.0253 1.2938 O.3 1 UNL1 -0.5608 28 C 2.5913 -0.6182 -0.1337 C.2 1 UNL1 0.4236 29 C 5.5712 -0.0744 -0.1702 C.2 1 UNL1 0.6200 30 O 4.5263 0.7040 -0.5794 O.3 1 UNL1 -0.4112 31 C -6.6843 1.2362 -0.7959 C.2 1 UNL1 0.4788 32 C -4.6039 2.1305 0.1530 C.2 1 UNL1 -0.0843 33 C -6.3383 -0.0857 -0.2475 C.2 1 UNL1 -0.3382 34 C -5.7392 2.3371 -0.5182 C.2 1 UNL1 -0.2859 35 F -3.1721 0.2138 -1.3144 F 1 UNL1 -0.2246 36 C -5.1983 -0.3034 0.4202 C.2 1 UNL1 0.0934 37 H -1.3137 -1.4068 -1.3004 H 1 UNL1 0.1467 38 H -2.2214 -0.9726 1.6184 H 1 UNL1 0.1528 39 H -2.0475 2.3110 -0.6033 H 1 UNL1 0.1582 40 H 0.4062 1.7024 -0.1726 H 1 UNL1 0.1694 41 H -0.3383 0.9129 -1.5558 H 1 UNL1 0.1717 42 H -0.4915 -3.0075 1.1941 H 1 UNL1 0.1509 43 H -1.0034 -3.6239 -0.3729 H 1 UNL1 0.1412 44 H 1.0484 -3.1182 -1.4306 H 1 UNL1 0.1495 45 H -3.6372 -2.2851 -0.8005 H 1 UNL1 0.1577 46 H -3.1773 -3.0722 0.7085 H 1 UNL1 0.1432 47 H 0.7739 -1.2380 2.0187 H 1 UNL1 0.1735 48 H 1.0466 0.4865 1.8355 H 1 UNL1 0.1662 49 H -0.5733 -0.1255 2.2281 H 1 UNL1 0.1353 50 H -5.6125 -2.4122 0.6753 H 1 UNL1 0.1574 51 H -4.7511 -1.6700 2.0206 H 1 UNL1 0.1558 52 H -3.9072 2.9449 0.3713 H 1 UNL1 0.1654 53 H -3.4987 1.8665 2.4847 H 1 UNL1 0.1754 54 H -5.0497 1.0503 2.6849 H 1 UNL1 0.1595 55 H -3.5501 0.1114 2.6948 H 1 UNL1 0.1447 56 H -7.0663 -0.8702 -0.4475 H 1 UNL1 0.1791 57 H 2.0210 -2.8914 1.4943 H 1 UNL1 0.1643 58 H 1.7344 -4.4054 0.6239 H 1 UNL1 0.1494 59 H 3.0022 -3.2966 0.0912 H 1 UNL1 0.1636 60 H 3.7864 -0.6993 -1.9480 H 1 UNL1 0.1791 61 H 2.9034 0.8606 -1.7186 H 1 UNL1 0.1817 62 H -6.0348 3.3134 -0.9000 H 1 UNL1 0.1782 63 H 6.7628 0.2069 1.5781 H 1 UNL1 0.1789 64 H 6.0214 1.7033 0.9760 H 1 UNL1 0.1775 65 H 8.2464 0.1139 -0.4957 H 1 UNL1 0.1536 66 H 7.5029 1.6020 -1.0970 H 1 UNL1 0.1459 67 H 8.2721 2.8191 1.0154 H 1 UNL1 0.1357 68 H 9.0598 1.3354 1.5650 H 1 UNL1 0.1372 69 H 10.5067 1.3417 -0.5312 H 1 UNL1 0.1455 70 H 9.7312 2.8426 -1.0515 H 1 UNL1 0.1439 71 H 10.7164 2.8185 0.4145 H 1 UNL1 0.1407 @BOND 1 17 26 1 2 26 5 1 3 60 9 1 4 61 9 1 5 41 22 1 6 20 31 2 7 44 8 1 8 35 4 1 9 37 1 1 10 9 30 1 11 9 28 1 12 66 11 1 13 70 16 1 14 62 34 1 15 45 24 1 16 31 34 1 17 31 33 1 18 39 7 1 19 5 8 1 20 5 28 1 21 5 3 1 22 30 29 1 23 69 16 1 24 34 32 2 25 65 11 1 26 21 29 2 27 56 33 1 28 22 40 1 29 22 7 1 30 22 3 1 31 8 23 1 32 8 15 1 33 43 23 1 34 33 36 2 35 1 23 1 36 1 3 1 37 1 2 1 38 16 71 1 39 16 12 1 40 29 10 1 41 11 10 1 42 11 12 1 43 28 19 2 44 4 7 1 45 4 2 1 46 4 6 1 47 7 27 1 48 59 15 1 49 23 42 1 50 3 13 1 51 32 52 1 52 32 6 1 53 24 2 1 54 24 46 1 55 24 25 1 56 36 6 1 57 36 25 1 58 15 58 1 59 15 57 1 60 2 38 1 61 10 64 1 62 10 63 1 63 12 67 1 64 12 68 1 65 50 25 1 66 6 14 1 67 25 51 1 68 27 18 1 69 13 48 1 70 13 47 1 71 13 49 1 72 14 53 1 73 14 54 1 74 14 55 1