@MOLECULE 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1h-pyrazol-5-yl](carboxy-~11~c)benzoic acid 40 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -4.1285 -2.7104 0.1613 S.O2 1 UNL1 2.3497 2 F 5.9456 -0.3255 -0.0991 F 1 UNL1 -0.1928 3 F 5.2911 -1.9769 1.0389 F 1 UNL1 -0.1810 4 F 5.2374 -2.0579 -1.0726 F 1 UNL1 -0.1826 5 O -4.1285 -4.1032 -0.2126 O.2 1 UNL1 -0.9062 6 O -4.7804 -2.2186 1.3498 O.2 1 UNL1 -0.9070 7 O -2.6430 5.0503 -1.1205 O.3 1 UNL1 -0.5576 8 O -1.8683 5.9551 0.7606 O.2 1 UNL1 -0.4912 9 N 1.4500 -0.6495 0.0356 N.ar 1 UNL1 -0.1027 10 N 2.5153 -1.4782 0.0148 N.ar 1 UNL1 -0.1712 11 N -4.8581 -1.8625 -1.1672 N.3 1 UNL1 -0.9462 12 C 1.8484 0.6947 0.0049 C.ar 1 UNL1 0.0243 13 C 0.1287 -1.1771 0.1015 C.ar 1 UNL1 0.1872 14 C 0.9187 1.8101 -0.0287 C.ar 1 UNL1 0.0131 15 C 3.2439 0.6927 -0.0282 C.ar 1 UNL1 -0.1962 16 C 3.6167 -0.6832 -0.0217 C.ar 1 UNL1 -0.0717 17 C -0.8246 -0.5277 0.8952 C.ar 1 UNL1 -0.2162 18 C -0.1941 -2.3247 -0.6304 C.ar 1 UNL1 -0.1823 19 C -2.4687 -2.1282 0.1533 C.ar 1 UNL1 -0.3677 20 C -2.1300 -1.0082 0.9111 C.ar 1 UNL1 -0.0422 21 C -1.5039 -2.7967 -0.5973 C.ar 1 UNL1 -0.0443 22 C 0.9667 2.7752 0.9815 C.ar 1 UNL1 -0.1607 23 C -0.0075 1.9165 -1.0712 C.ar 1 UNL1 -0.1771 24 C 4.9912 -1.2549 -0.0390 C.3 1 UNL1 0.5715 25 C 0.0730 3.8412 0.9564 C.ar 1 UNL1 -0.0718 26 C -0.9000 2.9837 -1.0971 C.ar 1 UNL1 -0.0649 27 C -0.8613 3.9370 -0.0783 C.ar 1 UNL1 -0.1302 28 C -1.7954 5.0746 -0.0578 C.2 1 UNL1 0.6347 29 H 3.8962 1.5419 -0.0630 H 1 UNL1 0.1964 30 H -0.5519 0.3377 1.4993 H 1 UNL1 0.1769 31 H 0.5730 -2.8437 -1.2097 H 1 UNL1 0.1894 32 H -2.8762 -0.4989 1.5361 H 1 UNL1 0.1836 33 H -1.7552 -3.7035 -1.1639 H 1 UNL1 0.1828 34 H 1.7009 2.6903 1.7839 H 1 UNL1 0.1746 35 H -0.0282 1.1682 -1.8631 H 1 UNL1 0.1668 36 H 0.0966 4.6036 1.7419 H 1 UNL1 0.1808 37 H -1.6276 3.0729 -1.9091 H 1 UNL1 0.1802 38 H -5.5546 -1.1726 -0.9378 H 1 UNL1 0.2955 39 H -5.1589 -2.4195 -1.9501 H 1 UNL1 0.2954 40 H -3.2756 5.8126 -1.1314 H 1 UNL1 0.3609 @BOND 1 39 11 1 2 37 26 1 3 35 23 1 4 31 18 1 5 11 38 1 6 11 1 1 7 33 21 1 8 40 7 1 9 7 28 1 10 26 23 ar 11 26 27 ar 12 4 24 1 13 23 14 ar 14 18 21 ar 15 18 13 ar 16 21 19 ar 17 5 1 2 18 2 24 1 19 27 28 1 20 27 25 ar 21 29 15 1 22 28 8 2 23 24 16 1 24 24 3 1 25 14 12 1 26 14 22 ar 27 15 16 ar 28 15 12 ar 29 16 10 ar 30 12 9 ar 31 10 9 ar 32 9 13 1 33 13 17 ar 34 19 1 1 35 19 20 ar 36 1 6 2 37 17 20 ar 38 17 30 1 39 20 32 1 40 25 22 ar 41 25 36 1 42 22 34 1