@MOLECULE (2r,3r)-3-{[2-{[4-(s-cyclopropylsulfonimidoyl)phenyl]amino}-5-(trifluoromethyl)-4-pyrimidinyl]oxy}-2-butanol 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.4100 -0.2849 0.4794 S.3 1 UNL1111111111 2.0912 2 F 5.9967 1.5350 -0.4163 F 1 UNL1111111111 -0.1986 3 F 5.4034 -0.0572 0.8372 F 1 UNL1111111111 -0.2028 4 F 5.1953 -0.2300 -1.2488 F 1 UNL1111111111 -0.2084 5 O -6.4166 0.7208 0.1856 O.2 1 UNL1111111111 -0.9183 6 O 2.8887 -0.9974 0.1384 O.3 1 UNL1111111111 -0.3105 7 O 3.5918 -3.6126 0.6389 O.3 1 UNL1111111111 -0.5422 8 N -5.4949 -1.1899 1.7816 N.2 1 UNL1111111111 -1.1136 9 N -0.1832 2.5740 0.1034 N.pl3 1 UNL1111111111 -0.4592 10 N 1.2987 0.7032 0.1509 N.ar 1 UNL1111111111 -0.6252 11 N 2.0813 2.9831 -0.1657 N.ar 1 UNL1111111111 -0.5407 12 C -5.2865 -1.4355 -0.8736 C.3 1 UNL1111111111 -0.4686 13 C -6.1754 -1.2797 -2.0865 C.3 1 UNL1111111111 -0.2637 14 C -4.6963 -1.0419 -2.2087 C.3 1 UNL1111111111 -0.2896 15 C -3.8476 0.5517 0.4073 C.ar 1 UNL1111111111 -0.4204 16 C -3.7745 1.8220 -0.1606 C.ar 1 UNL1111111111 -0.0342 17 C -2.7039 -0.0526 0.9209 C.ar 1 UNL1111111111 -0.0324 18 C -2.5524 2.4757 -0.2571 C.ar 1 UNL1111111111 -0.2634 19 C -1.4717 0.5888 0.8381 C.ar 1 UNL1111111111 -0.2233 20 C -1.3910 1.8466 0.2298 C.ar 1 UNL1111111111 0.2402 21 C 1.8343 -1.9523 0.4461 C.3 1 UNL1111111111 0.0826 22 C 2.4316 -3.2818 -0.0799 C.3 1 UNL1111111111 0.1512 23 C 1.0805 2.0451 0.0347 C.ar 1 UNL1111111111 0.5697 24 C 1.6395 -1.9620 1.9483 C.3 1 UNL1111111111 -0.4800 25 C 2.5828 0.2888 0.0545 C.ar 1 UNL1111111111 0.5385 26 C 2.7176 -3.2136 -1.5748 C.3 1 UNL1111111111 -0.5030 27 C 3.6635 1.1796 -0.1531 C.ar 1 UNL1111111111 -0.4823 28 C 3.3386 2.5425 -0.2534 C.ar 1 UNL1111111111 0.2559 29 C 5.0318 0.6326 -0.2432 C.3 1 UNL1111111111 0.6066 30 H -5.0958 -2.4558 -0.5031 H 1 UNL1111111111 0.2009 31 H -4.3170 -0.0353 -2.3790 H 1 UNL1111111111 0.1627 32 H -4.0702 -1.7573 -2.7390 H 1 UNL1111111111 0.1590 33 H -6.6281 -2.1640 -2.5307 H 1 UNL1111111111 0.1580 34 H -6.8719 -0.4392 -2.1500 H 1 UNL1111111111 0.1802 35 H -5.9702 -0.9127 2.6090 H 1 UNL1111111111 0.3068 36 H -4.6789 2.3225 -0.5327 H 1 UNL1111111111 0.1788 37 H -2.7561 -1.0350 1.4082 H 1 UNL1111111111 0.1752 38 H -2.5004 3.4618 -0.7124 H 1 UNL1111111111 0.1639 39 H -0.5844 0.1066 1.2532 H 1 UNL1111111111 0.1948 40 H -0.2567 3.5870 -0.0467 H 1 UNL1111111111 0.3426 41 H 0.9109 -1.6777 -0.1075 H 1 UNL1111111111 0.1523 42 H 1.7443 -4.1242 0.1742 H 1 UNL1111111111 0.1469 43 H 0.8681 -2.6807 2.2501 H 1 UNL1111111111 0.1622 44 H 1.3428 -0.9751 2.3265 H 1 UNL1111111111 0.1624 45 H 2.5685 -2.2483 2.4683 H 1 UNL1111111111 0.1803 46 H 3.2050 -4.1371 -1.9164 H 1 UNL1111111111 0.1665 47 H 1.8039 -3.0801 -2.1620 H 1 UNL1111111111 0.1536 48 H 3.3945 -2.3866 -1.8264 H 1 UNL1111111111 0.1689 49 H 4.1040 3.3223 -0.4104 H 1 UNL1111111111 0.1980 50 H 4.2973 -2.9449 0.4936 H 1 UNL1111111111 0.3306 @BOND 1 1 5 2 2 1 8 2 3 1 12 1 4 1 15 1 5 2 29 1 6 3 29 1 7 4 29 1 8 6 21 1 9 6 25 1 10 7 22 1 11 7 50 1 12 8 35 1 13 9 20 1 14 9 23 1 15 9 40 1 16 10 23 ar 17 10 25 ar 18 11 23 ar 19 11 28 ar 20 12 13 1 21 12 14 1 22 12 30 1 23 13 14 1 24 13 33 1 25 13 34 1 26 14 31 1 27 14 32 1 28 15 16 ar 29 15 17 ar 30 16 18 ar 31 16 36 1 32 17 19 ar 33 17 37 1 34 18 20 ar 35 18 38 1 36 19 20 ar 37 19 39 1 38 21 22 1 39 21 24 1 40 21 41 1 41 22 26 1 42 22 42 1 43 24 43 1 44 24 44 1 45 24 45 1 46 25 27 ar 47 26 46 1 48 26 47 1 49 26 48 1 50 27 28 ar 51 27 29 1 52 28 49 1