@MOLECULE (s)-3-(2-(3-cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)ethyl)pyridine 1-oxide 56 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 5.2163 -1.3946 1.2691 F 1 UNL1 -0.2002 2 F 4.1979 -2.7052 2.5418 F 1 UNL1 -0.2302 3 C 4.7146 -2.6306 1.3085 C.3 1 UNL1 0.4623 4 O 3.7019 -2.7823 0.3662 O.3 1 UNL1 -0.4056 5 C 5.6794 -1.9063 -3.1154 C.3 1 UNL1 -0.3329 6 C 6.0580 -1.6523 -1.6734 C.3 1 UNL1 -0.3449 7 C 4.6757 -2.1534 -2.0138 C.3 1 UNL1 0.0645 8 O 3.6652 -1.1776 -2.0692 O.3 1 UNL1 -0.3020 9 C 2.8296 -1.7279 0.2049 C.ar 1 UNL1 0.0892 10 C 2.8733 -0.9921 -0.9876 C.ar 1 UNL1 0.2196 11 C 1.9850 0.0804 -1.1660 C.ar 1 UNL1 -0.2483 12 C 1.0764 0.3932 -0.1626 C.ar 1 UNL1 0.0211 13 C 0.9908 -0.3916 0.9912 C.ar 1 UNL1 -0.2088 14 C 1.8651 -1.4568 1.1734 C.ar 1 UNL1 -0.1151 15 C 0.2420 1.6428 -0.2965 C.3 1 UNL1 -0.1150 16 C -1.2022 1.3412 -0.1066 C.ar 1 UNL1 0.1020 17 C -3.3183 1.5163 0.6351 C.ar 1 UNL1 0.0768 18 N -2.0233 2.0112 0.6754 N.ar 1 UNL1 -0.3913 19 S -2.0052 0.0117 -0.9671 S.2 1 UNL1 0.2770 20 C -3.5175 0.4431 -0.2034 C.ar 1 UNL1 -0.3792 21 C -4.7515 -0.3210 -0.4389 C.3 1 UNL1 0.1964 22 O -4.8556 -0.8791 -1.7157 O.3 1 UNL1 -0.4773 23 C -6.0500 0.5289 -0.2333 C.3 1 UNL1 0.4726 24 F -7.1214 -0.0571 -0.7494 F 1 UNL1 -0.1566 25 F -6.3456 0.7745 1.0372 F 1 UNL1 -0.1785 26 F -5.9767 1.7158 -0.8276 F 1 UNL1 -0.1914 27 C -4.8036 -1.5963 0.4711 C.3 1 UNL1 0.5065 28 F -3.9004 -2.5011 0.1229 F 1 UNL1 -0.1622 29 F -4.5780 -1.3214 1.7508 F 1 UNL1 -0.1813 30 F -5.9765 -2.2123 0.4293 F 1 UNL1 -0.1647 31 C 0.7504 2.6930 0.7249 C.3 1 UNL1 -0.2759 32 C 2.1972 2.9695 0.4626 C.ar 1 UNL1 0.0845 33 C 2.5813 3.9043 -0.5013 C.ar 1 UNL1 -0.2593 34 C 3.9371 4.0768 -0.7657 C.ar 1 UNL1 -0.0696 35 C 3.1670 2.2457 1.1536 C.ar 1 UNL1 -0.2289 36 C 4.8895 3.3303 -0.0831 C.ar 1 UNL1 -0.2246 37 O 5.3568 1.7456 1.4737 O.2 1 UNL1 -0.4677 38 N 4.5008 2.4182 0.8718 N.ar 1 UNL1 0.3974 39 H 5.4543 -3.4502 1.0821 H 1 UNL1 0.1731 40 H 6.1021 -2.7464 -3.6570 H 1 UNL1 0.1619 41 H 5.5377 -1.0602 -3.7855 H 1 UNL1 0.1714 42 H 6.1846 -0.6248 -1.3309 H 1 UNL1 0.1812 43 H 6.7703 -2.2996 -1.1731 H 1 UNL1 0.1610 44 H 4.3018 -3.1401 -1.7539 H 1 UNL1 0.1676 45 H 2.0472 0.6619 -2.0844 H 1 UNL1 0.1782 46 H 0.2514 -0.1627 1.7573 H 1 UNL1 0.1689 47 H 1.7967 -2.0731 2.0707 H 1 UNL1 0.1802 48 H 0.3742 2.0869 -1.3264 H 1 UNL1 0.1782 49 H -4.0470 2.0173 1.2707 H 1 UNL1 0.1963 50 H -4.6925 -0.2081 -2.4271 H 1 UNL1 0.3432 51 H 0.1373 3.6168 0.6513 H 1 UNL1 0.1753 52 H 0.5789 2.3313 1.7615 H 1 UNL1 0.1771 53 H 1.8360 4.4831 -1.0374 H 1 UNL1 0.1647 54 H 4.2649 4.7981 -1.5157 H 1 UNL1 0.1615 55 H 2.9150 1.5029 1.9159 H 1 UNL1 0.2053 56 H 5.9608 3.4267 -0.2674 H 1 UNL1 0.1967 @BOND 1 41 5 1 2 40 5 1 3 5 7 1 4 5 6 1 5 50 22 1 6 45 11 1 7 8 7 1 8 8 10 1 9 7 44 1 10 7 6 1 11 22 21 1 12 6 42 1 13 6 43 1 14 54 34 1 15 48 15 1 16 11 10 ar 17 11 12 ar 18 53 33 1 19 10 9 ar 20 19 20 ar 21 19 16 ar 22 26 23 1 23 34 33 ar 24 34 36 ar 25 24 23 1 26 33 32 ar 27 21 23 1 28 21 20 1 29 21 27 1 30 15 12 1 31 15 16 1 32 15 31 1 33 56 36 1 34 23 25 1 35 20 17 ar 36 12 13 ar 37 16 18 ar 38 36 38 ar 39 28 27 1 40 9 4 1 41 9 14 ar 42 4 3 1 43 30 27 1 44 32 31 1 45 32 35 ar 46 27 29 1 47 17 18 ar 48 17 49 1 49 51 31 1 50 31 52 1 51 38 35 ar 52 38 37 2 53 13 14 ar 54 13 46 1 55 39 3 1 56 35 55 1 57 14 47 1 58 1 3 1 59 3 2 1