@MOLECULE 1-[3-(aminomethyl)phenyl]-n-[3-fluoro-2'-(methylsulfonyl)-4-biphenylyl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 S 4.7911 -1.1215 -0.5898 S.O2 1 UNL11 2.2588 2 F 0.5035 -0.1485 2.2645 F 1 UNL11 -0.1605 3 F -7.2337 2.2197 -0.5368 F 1 UNL11 -0.1961 4 F -7.6838 0.1901 -0.8937 F 1 UNL11 -0.1828 5 F -7.4566 0.8920 1.0868 F 1 UNL11 -0.1869 6 O 5.9156 -2.0240 -0.7353 O.2 1 UNL11 -0.9165 7 O 3.6876 -1.4704 0.2944 O.2 1 UNL11 -0.9467 8 O -1.4034 1.3186 -1.8549 O.2 1 UNL11 -0.4552 9 N -3.6550 -0.4566 0.0561 N.ar 1 UNL11 -0.0433 10 N -1.0600 1.1317 0.3958 N.am 1 UNL11 -0.5575 11 N -4.9816 -0.5169 0.2252 N.ar 1 UNL11 -0.1431 12 N 1.2057 -1.9735 -1.3210 N.3 1 UNL11 -0.6466 13 C 4.6200 1.4781 0.3711 C.ar 1 UNL11 0.0612 14 C 5.4470 0.4277 -0.0287 C.ar 1 UNL11 -0.3978 15 C 3.1515 1.3771 0.3672 C.ar 1 UNL11 -0.0596 16 C -3.2629 0.7769 -0.4766 C.ar 1 UNL11 -0.1121 17 C -2.7910 -1.5554 0.3474 C.ar 1 UNL11 0.1186 18 C 0.3478 1.2303 0.3579 C.ar 1 UNL11 0.1328 19 C 2.5058 0.6277 1.3542 C.ar 1 UNL11 -0.1052 20 C 2.4093 2.0477 -0.6061 C.ar 1 UNL11 -0.1485 21 C -4.4235 1.5296 -0.6513 C.ar 1 UNL11 -0.1261 22 C 5.1842 2.6846 0.7993 C.ar 1 UNL11 -0.1815 23 C -5.4762 0.6861 -0.1933 C.ar 1 UNL11 -0.1037 24 C -1.8492 1.1095 -0.7523 C.2 1 UNL11 0.5890 25 C 6.8314 0.5802 0.0194 C.ar 1 UNL11 -0.0711 26 C -1.8112 -1.8852 -0.5935 C.ar 1 UNL11 -0.2039 27 C -0.8590 -2.8493 -0.2696 C.ar 1 UNL11 -0.0190 28 C 1.1191 0.5655 1.3336 C.ar 1 UNL11 0.0965 29 C 1.0195 1.9767 -0.6174 C.ar 1 UNL11 -0.1629 30 C -2.8920 -2.2298 1.5661 C.ar 1 UNL11 -0.1499 31 C 4.1309 -0.7895 -2.1987 C.3 1 UNL11 -0.7643 32 C 6.5673 2.8347 0.8371 C.ar 1 UNL11 -0.1038 33 C 7.3929 1.7813 0.4488 C.ar 1 UNL11 -0.1809 34 C -0.9305 -3.5122 0.9565 C.ar 1 UNL11 -0.1433 35 C -1.9507 -3.2145 1.8586 C.ar 1 UNL11 -0.1147 36 C 0.2617 -3.1077 -1.2450 C.3 1 UNL11 -0.1177 37 C -6.9316 0.9845 -0.1343 C.3 1 UNL11 0.5741 38 H -4.5073 2.5241 -1.0441 H 1 UNL11 0.1953 39 H 3.0817 0.0736 2.1035 H 1 UNL11 0.2001 40 H 2.9205 2.6384 -1.3666 H 1 UNL11 0.1603 41 H 4.5366 3.5031 1.1105 H 1 UNL11 0.1611 42 H 7.4967 -0.2439 -0.2717 H 1 UNL11 0.1803 43 H -1.7834 -1.3925 -1.5687 H 1 UNL11 0.1841 44 H 0.4537 2.5040 -1.3903 H 1 UNL11 0.1931 45 H -1.4920 0.9300 1.2952 H 1 UNL11 0.3319 46 H -3.6906 -1.9885 2.2698 H 1 UNL11 0.1846 47 H 4.8908 -0.8597 -2.9853 H 1 UNL11 0.1861 48 H 3.3398 -1.5207 -2.4653 H 1 UNL11 0.2261 49 H 3.6503 0.1926 -2.2755 H 1 UNL11 0.1853 50 H 7.0030 3.7747 1.1738 H 1 UNL11 0.1491 51 H 8.4746 1.8942 0.4843 H 1 UNL11 0.1547 52 H -0.1805 -4.2608 1.2136 H 1 UNL11 0.1643 53 H -0.1490 -3.2756 -2.2705 H 1 UNL11 0.1574 54 H 0.8280 -4.0309 -0.9897 H 1 UNL11 0.1532 55 H -2.0072 -3.7481 2.8087 H 1 UNL11 0.1651 56 H 0.7147 -1.0917 -1.3141 H 1 UNL11 0.2486 57 H 1.8599 -1.9765 -0.5400 H 1 UNL11 0.2893 @BOND 1 1 6 2 2 1 7 2 3 1 14 1 4 1 31 1 5 2 28 1 6 3 37 1 7 4 37 1 8 5 37 1 9 8 24 2 10 9 11 ar 11 9 16 ar 12 9 17 1 13 10 18 1 14 10 24 am 15 10 45 1 16 11 23 ar 17 12 36 1 18 12 56 1 19 12 57 1 20 13 14 ar 21 13 15 1 22 13 22 ar 23 14 25 ar 24 15 19 ar 25 15 20 ar 26 16 21 ar 27 16 24 1 28 17 26 ar 29 17 30 ar 30 18 28 ar 31 18 29 ar 32 19 28 ar 33 19 39 1 34 20 29 ar 35 20 40 1 36 21 23 ar 37 21 38 1 38 22 32 ar 39 22 41 1 40 23 37 1 41 25 33 ar 42 25 42 1 43 26 27 ar 44 26 43 1 45 27 34 ar 46 27 36 1 47 29 44 1 48 30 35 ar 49 30 46 1 50 31 47 1 51 31 48 1 52 31 49 1 53 32 33 ar 54 32 50 1 55 33 51 1 56 34 35 ar 57 34 52 1 58 35 55 1 59 36 53 1 60 36 54 1