@MOLECULE 3-({[(11beta,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl]oxy}carbonyl)benzenesulfonic acid 73 77 0 0 0 SMALL GASTEIGER @ATOM 1 S -9.0430 -0.2272 -0.2142 S.O2 1 UNL11 2.4064 2 F 4.9009 0.0948 -1.2773 F 1 UNL11 -0.2230 3 O 0.6199 1.3038 -1.6063 O.3 1 UNL11 -0.5754 4 O 3.4284 -2.2950 0.8526 O.3 1 UNL11 -0.5627 5 O -1.2728 0.3393 1.1163 O.2 1 UNL11 -0.4269 6 O -2.8665 -0.3411 -0.9186 O.3 1 UNL11 -0.4051 7 O 9.4669 -1.0283 -1.7157 O.2 1 UNL11 -0.4487 8 O -3.8376 1.6566 -0.5361 O.2 1 UNL11 -0.4827 9 O -9.3309 0.4995 1.2453 O.3 1 UNL11 -0.8372 10 O -9.1024 0.8292 -1.1897 O.2 1 UNL11 -0.9005 11 O -9.9089 -1.3707 -0.3064 O.2 1 UNL11 -0.8888 12 C 1.7308 0.3189 0.3107 C.3 1 UNL11 0.0379 13 C 2.8477 1.3991 0.2521 C.3 1 UNL11 -0.1439 14 C 4.1622 0.8713 0.8196 C.3 1 UNL11 -0.1639 15 C 4.6141 -0.3520 -0.0274 C.3 1 UNL11 0.1737 16 C 0.5294 1.1752 -0.2062 C.3 1 UNL11 0.1520 17 C 2.1986 2.6246 0.9187 C.3 1 UNL11 -0.2944 18 C 2.1219 -0.8444 -0.5941 C.3 1 UNL11 -0.3530 19 C 0.6952 2.5385 0.5320 C.3 1 UNL11 -0.1324 20 C 3.4993 -1.4306 -0.2482 C.3 1 UNL11 0.1216 21 C 5.9639 -0.9355 0.5205 C.3 1 UNL11 -0.0122 22 C 5.2409 1.9646 0.7987 C.3 1 UNL11 -0.2656 23 C 1.4162 -0.1688 1.7265 C.3 1 UNL11 -0.4633 24 C 6.5892 1.4153 1.2834 C.3 1 UNL11 -0.2988 25 C 6.9637 0.2017 0.4911 C.2 1 UNL11 0.0937 26 C -0.8527 0.5679 0.0132 C.2 1 UNL11 0.4160 27 C 0.2313 3.7138 -0.3151 C.3 1 UNL11 -0.4489 28 C 5.8572 -1.4568 1.9630 C.3 1 UNL11 -0.4437 29 C 6.3820 -2.1065 -0.3285 C.2 1 UNL11 -0.0847 30 C 8.1031 0.1500 -0.2109 C.2 1 UNL11 -0.3381 31 C -1.6483 0.3037 -1.2429 C.3 1 UNL11 -0.1059 32 C 7.5177 -2.1476 -1.0295 C.2 1 UNL11 -0.2851 33 C 8.4584 -1.0089 -1.0465 C.2 1 UNL11 0.4784 34 C -3.8951 0.4558 -0.5064 C.2 1 UNL11 0.6058 35 C -5.0284 -0.3958 -0.1046 C.ar 1 UNL11 -0.1714 36 C -6.3304 0.0699 -0.2934 C.ar 1 UNL11 0.0001 37 C -4.7893 -1.6558 0.4491 C.ar 1 UNL11 -0.0256 38 C -7.4006 -0.7542 0.0493 C.ar 1 UNL11 -0.4102 39 C -5.8655 -2.4672 0.7993 C.ar 1 UNL11 -0.2073 40 C -7.1695 -2.0196 0.5924 C.ar 1 UNL11 -0.0145 41 H 3.0266 1.6666 -0.8227 H 1 UNL11 0.1503 42 H 4.0133 0.5376 1.8734 H 1 UNL11 0.1520 43 H 2.3229 2.6024 2.0130 H 1 UNL11 0.1452 44 H 2.6560 3.5656 0.5799 H 1 UNL11 0.1460 45 H 2.1165 -0.5189 -1.6571 H 1 UNL11 0.1775 46 H 1.3663 -1.6541 -0.5384 H 1 UNL11 0.1656 47 H 0.0801 2.5063 1.4656 H 1 UNL11 0.1619 48 H 3.8167 -2.1380 -1.0598 H 1 UNL11 0.1586 49 H 4.9297 2.8109 1.4397 H 1 UNL11 0.1426 50 H 5.3534 2.3880 -0.2199 H 1 UNL11 0.1580 51 H 0.9748 0.6188 2.3525 H 1 UNL11 0.1687 52 H 0.6816 -0.9877 1.7129 H 1 UNL11 0.1670 53 H 2.3079 -0.5214 2.2582 H 1 UNL11 0.1361 54 H 6.5434 1.1688 2.3639 H 1 UNL11 0.1556 55 H 7.3642 2.2057 1.2000 H 1 UNL11 0.1579 56 H -0.7824 3.5456 -0.7087 H 1 UNL11 0.1630 57 H 0.1938 4.6359 0.2797 H 1 UNL11 0.1544 58 H 0.8865 3.9088 -1.1707 H 1 UNL11 0.1441 59 H 5.3841 -0.7366 2.6354 H 1 UNL11 0.1445 60 H 5.2757 -2.3893 2.0150 H 1 UNL11 0.1758 61 H 6.8537 -1.6834 2.3660 H 1 UNL11 0.1605 62 H 1.2883 1.9722 -1.8654 H 1 UNL11 0.3406 63 H 5.6894 -2.9529 -0.3063 H 1 UNL11 0.1646 64 H 2.9767 -1.8785 1.6200 H 1 UNL11 0.3242 65 H 8.8237 0.9662 -0.2293 H 1 UNL11 0.1792 66 H -1.1438 -0.4285 -1.9080 H 1 UNL11 0.1833 67 H -1.8242 1.2409 -1.8123 H 1 UNL11 0.1837 68 H 7.8150 -3.0080 -1.6277 H 1 UNL11 0.1784 69 H -6.4866 1.0736 -0.7160 H 1 UNL11 0.1900 70 H -3.7617 -1.9981 0.6049 H 1 UNL11 0.1716 71 H -5.6886 -3.4512 1.2298 H 1 UNL11 0.1630 72 H -8.0067 -2.6802 0.8552 H 1 UNL11 0.1753 73 H -10.0029 1.1907 1.2742 H 1 UNL11 0.3886 @BOND 1 1 9 1 2 1 10 2 3 1 11 2 4 1 38 1 5 2 15 1 6 3 16 1 7 3 62 1 8 4 20 1 9 4 64 1 10 5 26 2 11 6 31 1 12 6 34 1 13 7 33 2 14 8 34 2 15 9 73 1 16 12 13 1 17 12 18 1 18 12 23 1 19 13 14 1 20 13 17 1 21 13 41 1 22 14 15 1 23 14 22 1 24 14 42 1 25 15 20 1 26 16 12 1 27 16 26 1 28 17 19 1 29 17 43 1 30 17 44 1 31 18 20 1 32 18 45 1 33 18 46 1 34 19 16 1 35 19 27 1 36 19 47 1 37 20 48 1 38 21 15 1 39 21 25 1 40 21 28 1 41 21 29 1 42 22 24 1 43 22 49 1 44 22 50 1 45 23 51 1 46 23 52 1 47 23 53 1 48 24 25 1 49 24 54 1 50 24 55 1 51 25 30 2 52 26 31 1 53 27 56 1 54 27 57 1 55 27 58 1 56 28 59 1 57 28 60 1 58 28 61 1 59 29 32 2 60 29 63 1 61 30 33 1 62 30 65 1 63 31 66 1 64 31 67 1 65 32 33 1 66 32 68 1 67 34 35 1 68 35 36 ar 69 35 37 ar 70 36 38 ar 71 36 69 1 72 37 39 ar 73 37 70 1 74 38 40 ar 75 39 40 ar 76 39 71 1 77 40 72 1