@MOLECULE [(2r,3r)-2-(2,4-difluorophenyl)-3-methyl-2-(1h-1,2,4-triazol-1-ylmethyl)-4-morpholinyl][4-(trifluoromethyl)phenyl]methanone 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 F 0.3780 1.9434 0.2033 F 1 UNL1111111111 -0.1665 2 F 4.0785 4.3900 -1.1815 F 1 UNL1111111111 -0.1577 3 F -5.9637 1.9139 -0.2201 F 1 UNL1111111111 -0.1987 4 F -6.1817 0.8062 1.5562 F 1 UNL1111111111 -0.1969 5 F -4.6989 2.3005 1.4145 F 1 UNL1111111111 -0.2019 6 O 2.5817 -1.5090 -0.8520 O.3 1 UNL1111111111 -0.3920 7 O -1.6734 -3.7747 -1.1508 O.2 1 UNL1111111111 -0.4983 8 N -0.0897 -2.1700 -1.1492 N.am 1 UNL1111111111 -0.5143 9 N 2.5811 -0.8879 1.9152 N.ar 1 UNL1111111111 -0.1392 10 N 3.1347 -2.0772 2.2776 N.ar 1 UNL1111111111 -0.2823 11 N 4.5185 -0.3787 2.8668 N.ar 1 UNL1111111111 -0.4044 12 C 1.6214 -0.5952 -0.3631 C.3 1 UNL1111111111 0.2287 13 C 0.2909 -0.7531 -1.1799 C.3 1 UNL1111111111 0.0668 14 C 1.3477 -0.8635 1.1503 C.3 1 UNL1111111111 -0.1385 15 C 0.9292 -3.1116 -1.6286 C.3 1 UNL1111111111 -0.1041 16 C 2.2580 0.7569 -0.5719 C.ar 1 UNL1111111111 -0.1762 17 C 2.2134 -2.8765 -0.8221 C.3 1 UNL1111111111 -0.0575 18 C 0.4839 -0.2599 -2.6183 C.3 1 UNL1111111111 -0.4724 19 C -1.3921 -2.6050 -0.9908 C.2 1 UNL1111111111 0.5621 20 C 1.6086 1.9611 -0.2834 C.ar 1 UNL1111111111 0.2165 21 C 3.5649 0.8309 -1.0708 C.ar 1 UNL1111111111 -0.0398 22 C -2.3982 -1.5924 -0.5539 C.ar 1 UNL1111111111 -0.0720 23 C 2.1936 3.2111 -0.4735 C.ar 1 UNL1111111111 -0.2893 24 C 4.1929 2.0554 -1.2783 C.ar 1 UNL1111111111 -0.2483 25 C 3.4384 0.1523 2.2655 C.ar 1 UNL1111111111 0.0794 26 C 3.4915 3.2229 -0.9792 C.ar 1 UNL1111111111 0.2500 27 C -3.2147 -0.9858 -1.5043 C.ar 1 UNL1111111111 -0.1378 28 C -2.5242 -1.2930 0.8018 C.ar 1 UNL1111111111 -0.1388 29 C 4.3130 -1.7534 2.8649 C.ar 1 UNL1111111111 0.0711 30 C -4.1587 -0.0428 -1.0986 C.ar 1 UNL1111111111 -0.0873 31 C -3.4642 -0.3493 1.2069 C.ar 1 UNL1111111111 -0.0862 32 C -4.2693 0.2769 0.2529 C.ar 1 UNL1111111111 -0.1231 33 C -5.2594 1.3016 0.7301 C.3 1 UNL1111111111 0.5403 34 H -0.5191 -0.1520 -0.6902 H 1 UNL1111111111 0.1595 35 H 0.8236 -1.8495 1.2609 H 1 UNL1111111111 0.1960 36 H 0.6652 -0.0995 1.5833 H 1 UNL1111111111 0.1696 37 H 1.1100 -2.9621 -2.7163 H 1 UNL1111111111 0.1449 38 H 0.5718 -4.1622 -1.5000 H 1 UNL1111111111 0.1792 39 H 2.1271 -3.2238 0.2247 H 1 UNL1111111111 0.1566 40 H 3.0952 -3.3562 -1.2875 H 1 UNL1111111111 0.1519 41 H 0.5474 0.8340 -2.6607 H 1 UNL1111111111 0.1608 42 H 1.4093 -0.6551 -3.0596 H 1 UNL1111111111 0.1701 43 H -0.3485 -0.5650 -3.2621 H 1 UNL1111111111 0.1556 44 H 4.1143 -0.0911 -1.3007 H 1 UNL1111111111 0.1881 45 H 1.6596 4.1323 -0.2395 H 1 UNL1111111111 0.1990 46 H 5.2126 2.0935 -1.6630 H 1 UNL1111111111 0.1883 47 H 3.2445 1.1964 2.0939 H 1 UNL1111111111 0.2016 48 H -3.1229 -1.2492 -2.5587 H 1 UNL1111111111 0.1683 49 H -1.8992 -1.7988 1.5390 H 1 UNL1111111111 0.1715 50 H 5.0091 -2.4581 3.2874 H 1 UNL1111111111 0.2026 51 H -4.7948 0.4277 -1.8510 H 1 UNL1111111111 0.1728 52 H -3.5639 -0.1079 2.2678 H 1 UNL1111111111 0.1722 @BOND 1 1 20 1 2 2 26 1 3 3 33 1 4 4 33 1 5 5 33 1 6 6 12 1 7 6 17 1 8 7 19 2 9 8 13 1 10 8 15 1 11 8 19 am 12 9 10 ar 13 9 14 1 14 9 25 ar 15 10 29 ar 16 11 25 ar 17 11 29 ar 18 12 13 1 19 12 14 1 20 12 16 1 21 13 18 1 22 13 34 1 23 14 35 1 24 14 36 1 25 15 17 1 26 15 37 1 27 15 38 1 28 16 20 ar 29 16 21 ar 30 17 39 1 31 17 40 1 32 18 41 1 33 18 42 1 34 18 43 1 35 19 22 1 36 20 23 ar 37 21 24 ar 38 21 44 1 39 22 27 ar 40 22 28 ar 41 23 26 ar 42 23 45 1 43 24 26 ar 44 24 46 1 45 25 47 1 46 27 30 ar 47 27 48 1 48 28 31 ar 49 28 49 1 50 29 50 1 51 30 32 ar 52 30 51 1 53 31 32 ar 54 31 52 1 55 32 33 1