@MOLECULE 2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.2074 0.7518 1.8341 C.ar 1 UNL11 0.2815 2 C 3.0580 -0.3358 2.0508 C.ar 1 UNL11 -0.2615 3 C 4.0280 -0.5825 1.0894 C.ar 1 UNL11 0.0586 4 C 4.1664 0.2159 -0.0431 C.ar 1 UNL11 -0.2183 5 C 3.3019 1.2932 -0.2256 C.ar 1 UNL11 -0.0068 6 C 2.3001 1.5686 0.7086 C.ar 1 UNL11 -0.4891 7 S 1.1985 2.9071 0.4084 S.O2 1 UNL11 2.4020 8 O 0.4826 3.2201 1.6100 O.2 1 UNL11 -0.8623 9 O 1.8906 3.8970 -0.3710 O.2 1 UNL11 -0.8701 10 N 0.0986 2.1726 -0.7412 N.pl3 1 UNL11 -0.8449 11 C -0.8949 1.2452 -0.4720 C.ar 1 UNL11 0.3361 12 C -1.3265 0.3564 -1.4913 C.ar 1 UNL11 -0.2869 13 C -2.3403 -0.5764 -1.2265 C.ar 1 UNL11 -0.0554 14 C -2.9007 -0.6192 0.0358 C.ar 1 UNL11 0.0656 15 C -2.4968 0.2495 1.0600 C.ar 1 UNL11 -0.0689 16 C -1.5071 1.1747 0.8049 C.ar 1 UNL11 -0.2774 17 C -0.7270 0.3840 -2.8208 C.2 1 UNL11 0.6783 18 O -1.2374 -0.5639 -3.6467 O.3 1 UNL11 -0.5428 19 O 0.1380 1.1259 -3.2399 O.2 1 UNL11 -0.5697 20 O -3.8068 -1.6207 0.3333 O.3 1 UNL11 -0.3028 21 C -5.1317 -1.2928 0.1979 C.ar 1 UNL11 0.2446 22 C -5.9933 -2.3286 0.5799 C.ar 1 UNL11 -0.2477 23 C -7.3626 -2.1147 0.4827 C.ar 1 UNL11 -0.0827 24 C -7.8578 -0.8953 0.0143 C.ar 1 UNL11 -0.2171 25 C -6.9801 0.1189 -0.3619 C.ar 1 UNL11 -0.0785 26 C -5.6019 -0.0691 -0.2735 C.ar 1 UNL11 -0.2815 27 F 1.2816 0.9971 2.7417 F 1 UNL11 -0.1302 28 BR 5.1992 -2.0504 1.3300 Br 1 UNL11 -0.0208 29 H 2.9516 -0.9572 2.9415 H 1 UNL11 0.1940 30 H 4.9370 0.0114 -0.7877 H 1 UNL11 0.1799 31 H 3.4255 1.9239 -1.1184 H 1 UNL11 0.1853 32 H 0.3374 2.2976 -1.7416 H 1 UNL11 0.3622 33 H -2.6829 -1.2669 -2.0041 H 1 UNL11 0.1903 34 H -2.9736 0.1853 2.0397 H 1 UNL11 0.1711 35 H -1.2259 1.8775 1.5980 H 1 UNL11 0.2117 36 H -0.8337 -0.5437 -4.5525 H 1 UNL11 0.3595 37 H -5.5876 -3.2697 0.9406 H 1 UNL11 0.1721 38 H -8.0547 -2.9042 0.7741 H 1 UNL11 0.1494 39 H -8.9309 -0.7395 -0.0571 H 1 UNL11 0.1534 40 H -7.3706 1.0678 -0.7286 H 1 UNL11 0.1496 41 H -4.9182 0.7211 -0.5692 H 1 UNL11 0.1702 @BOND 1 1 27 1 2 1 6 ar 3 2 1 ar 4 2 29 1 5 3 4 ar 6 3 2 ar 7 4 5 ar 8 4 30 1 9 5 6 ar 10 5 31 1 11 6 7 1 12 7 10 1 13 7 9 2 14 7 8 2 15 10 32 1 16 11 16 ar 17 11 10 1 18 12 11 ar 19 13 14 ar 20 13 12 ar 21 13 33 1 22 14 15 ar 23 15 16 ar 24 15 34 1 25 16 35 1 26 17 12 1 27 17 18 1 28 18 36 1 29 19 17 2 30 20 14 1 31 21 20 1 32 22 21 ar 33 22 37 1 34 23 22 ar 35 23 38 1 36 24 23 ar 37 24 25 ar 38 24 39 1 39 25 26 ar 40 25 40 1 41 26 21 ar 42 26 41 1 43 28 3 1