@MOLECULE {3-[4-(methylsulfonyl)phenyl]-5-(trifluoromethyl)-2-pyridinyl}(phenyl)methanone 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 S 4.7183 1.4336 -0.3380 S.O2 1 UNL11 2.2339 2 F -4.2781 2.9541 -1.1648 F 1 UNL11 -0.1895 3 F -5.3583 1.1897 -1.5634 F 1 UNL11 -0.1970 4 F -5.5199 2.1254 0.3220 F 1 UNL11 -0.1918 5 O 5.0031 1.6033 -1.7468 O.2 1 UNL11 -0.9119 6 O 5.1474 2.4111 0.6378 O.2 1 UNL11 -0.9049 7 O -0.3480 -1.6335 2.6908 O.2 1 UNL11 -0.3647 8 N -2.8581 -1.0723 1.0242 N.ar 1 UNL11 -0.3331 9 C -1.1839 0.4963 0.2628 C.ar 1 UNL11 -0.1138 10 C 0.2370 0.8168 0.1082 C.ar 1 UNL11 0.0087 11 C 2.9686 1.2314 -0.1696 C.ar 1 UNL11 -0.3837 12 C -1.5766 -0.6899 0.9068 C.ar 1 UNL11 0.0906 13 C 1.0019 1.1643 1.2233 C.ar 1 UNL11 -0.1739 14 C 0.8272 0.7257 -1.1543 C.ar 1 UNL11 -0.1729 15 C -2.1785 1.3322 -0.2470 C.ar 1 UNL11 -0.0272 16 C 2.3708 1.3790 1.0793 C.ar 1 UNL11 -0.0679 17 C 2.1983 0.9316 -1.2902 C.ar 1 UNL11 -0.0674 18 C -3.5107 0.9496 -0.1064 C.ar 1 UNL11 -0.2176 19 C -0.5366 -1.6074 1.5045 C.2 1 UNL11 0.4527 20 C -3.8133 -0.2674 0.5281 C.ar 1 UNL11 0.1093 21 C 0.2735 -2.3602 0.5240 C.ar 1 UNL11 -0.1614 22 C 5.3728 -0.1498 0.1610 C.3 1 UNL11 -0.7549 23 C -4.6355 1.7940 -0.6190 C.3 1 UNL11 0.5507 24 C -0.3032 -2.8967 -0.6271 C.ar 1 UNL11 -0.1004 25 C 1.6431 -2.4913 0.7604 C.ar 1 UNL11 -0.0837 26 C 0.5034 -3.5367 -1.5644 C.ar 1 UNL11 -0.1609 27 C 2.4466 -3.1256 -0.1837 C.ar 1 UNL11 -0.1759 28 C 1.8771 -3.6415 -1.3471 C.ar 1 UNL11 -0.1082 29 H 0.5300 1.2618 2.2014 H 1 UNL11 0.1703 30 H 0.2223 0.4804 -2.0254 H 1 UNL11 0.1605 31 H -1.8914 2.2644 -0.7432 H 1 UNL11 0.1856 32 H 2.9599 1.6718 1.9561 H 1 UNL11 0.1742 33 H 2.6549 0.8594 -2.2853 H 1 UNL11 0.1782 34 H -4.8462 -0.6266 0.6540 H 1 UNL11 0.1935 35 H 4.8371 -0.9885 -0.2941 H 1 UNL11 0.1772 36 H 6.4243 -0.2499 -0.1429 H 1 UNL11 0.1919 37 H 5.3490 -0.2788 1.2496 H 1 UNL11 0.1854 38 H -1.3801 -2.8213 -0.7897 H 1 UNL11 0.1674 39 H 2.0750 -2.0971 1.6822 H 1 UNL11 0.1663 40 H 0.0606 -3.9535 -2.4683 H 1 UNL11 0.1614 41 H 3.5158 -3.2258 -0.0098 H 1 UNL11 0.1523 42 H 2.5076 -4.1333 -2.0874 H 1 UNL11 0.1525 @BOND 1 1 5 2 2 1 6 2 3 1 11 1 4 1 22 1 5 2 23 1 6 3 23 1 7 4 23 1 8 7 19 2 9 8 12 ar 10 8 20 ar 11 9 10 1 12 9 12 ar 13 9 15 ar 14 10 13 ar 15 10 14 ar 16 11 16 ar 17 11 17 ar 18 12 19 1 19 13 16 ar 20 13 29 1 21 14 17 ar 22 14 30 1 23 15 18 ar 24 15 31 1 25 16 32 1 26 17 33 1 27 18 20 ar 28 18 23 1 29 19 21 1 30 20 34 1 31 21 24 ar 32 21 25 ar 33 22 35 1 34 22 36 1 35 22 37 1 36 24 26 ar 37 24 38 1 38 25 27 ar 39 25 39 1 40 26 28 ar 41 26 40 1 42 27 28 ar 43 27 41 1 44 28 42 1