@MOLECULE (2e)-3-(4-{[2,4-bis(trifluoromethyl)benzyl]oxy}-3-methoxyphenyl)-2-cyano-n-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide 53 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 7.6775 -0.9624 -0.0684 C.ar 1 UNL1 -0.0260 2 C 5.8336 1.1054 0.2230 C.ar 1 UNL1 -0.1737 3 C 7.1696 1.4035 -0.0288 C.ar 1 UNL1 -0.0390 4 C 0.0028 2.2185 0.2386 C.ar 1 UNL1 -0.2244 5 C 1.1292 -0.3172 0.6945 C.ar 1 UNL1 -0.2563 6 C -0.2602 -0.1497 0.7049 C.ar 1 UNL1 -0.0967 7 C 3.9497 -0.4956 0.5703 C.3 1 UNL1 -0.0841 8 C 1.7886 4.3256 -0.3350 C.3 1 UNL1 -0.2120 9 H -5.1679 -1.1187 -0.5089 H 1 UNL1 0.3347 10 C 6.3382 -1.2573 0.1870 C.ar 1 UNL1 -0.1806 11 C 5.4044 -0.2203 0.3216 C.ar 1 UNL1 0.0858 12 C 8.0876 0.3661 -0.1794 C.ar 1 UNL1 -0.1620 13 C -9.3044 -0.2134 0.0167 C.ar 1 UNL1 -0.2305 14 C -6.8728 -0.0480 -0.0656 C.ar 1 UNL1 0.2068 15 C 1.9454 0.7708 0.4334 C.ar 1 UNL1 0.1917 16 C 1.3749 2.0598 0.2063 C.ar 1 UNL1 0.1521 17 C -0.8214 1.0999 0.4725 C.ar 1 UNL1 -0.0930 18 O -4.9768 1.9590 0.2883 O.2 1 UNL1 -0.3619 19 C -4.5987 0.8570 -0.0001 C.2 1 UNL1 0.5753 20 C -3.1616 0.4913 -0.1228 C.2 1 UNL1 -0.2248 21 O 3.2984 0.7643 0.3625 O.3 1 UNL1 -0.2942 22 O 2.2940 3.0343 -0.0170 O.3 1 UNL1 -0.2772 23 C -2.2619 1.3023 0.4792 C.2 1 UNL1 0.0716 24 N -5.5202 -0.2041 -0.2267 N.am 1 UNL1 -0.5370 25 F 6.9178 -3.5752 0.4030 F 1 UNL1 -0.1886 26 F 5.1494 -2.9690 1.3464 F 1 UNL1 -0.2075 27 F 5.2220 -3.1280 -0.7572 F 1 UNL1 -0.1975 28 F 10.0148 0.0024 -1.5192 F 1 UNL1 -0.1947 29 F 9.8480 1.9195 -0.6707 F 1 UNL1 -0.1969 30 F 10.3401 0.2738 0.5487 F 1 UNL1 -0.1956 31 F -11.5393 0.3445 0.6130 F 1 UNL1 -0.1533 32 F -11.2468 -0.5853 -1.2631 F 1 UNL1 -0.1872 33 F -11.0555 -1.7090 0.5130 F 1 UNL1 -0.1910 34 N -8.8099 0.8964 0.5509 N.ar 1 UNL1 -0.0361 35 N -7.4914 1.0010 0.5166 N.ar 1 UNL1 -0.2171 36 C 5.9226 -2.6976 0.2931 C.3 1 UNL1 0.5493 37 C 9.5384 0.6430 -0.4512 C.3 1 UNL1 0.5464 38 C -10.7601 -0.5229 -0.0227 C.3 1 UNL1 0.5664 39 C -2.8035 -0.6379 -0.8945 C.1 1 UNL1 0.1175 40 N -2.5194 -1.5600 -1.5352 N.1 1 UNL1 -0.2236 41 S -8.0599 -1.2803 -0.6316 S.2 1 UNL1 0.2358 42 H 8.4174 -1.7627 -0.1870 H 1 UNL1 0.1854 43 H 5.1173 1.9271 0.3392 H 1 UNL1 0.1917 44 H 7.4739 2.4513 -0.1032 H 1 UNL1 0.1743 45 H 3.5302 -1.2351 -0.1416 H 1 UNL1 0.1665 46 H 3.7631 -0.8131 1.6178 H 1 UNL1 0.1659 47 H -0.4531 3.1928 0.0724 H 1 UNL1 0.1745 48 H 1.5415 -1.3064 0.8844 H 1 UNL1 0.1773 49 H -2.6122 2.2038 1.0163 H 1 UNL1 0.1902 50 H -0.8950 -1.0143 0.9063 H 1 UNL1 0.1663 51 H 2.7151 4.8936 -0.5041 H 1 UNL1 0.1593 52 H 1.1862 4.3012 -1.2486 H 1 UNL1 0.1406 53 H 1.2317 4.7476 0.5071 H 1 UNL1 0.1372 @BOND 1 40 39 3 2 28 37 1 3 32 38 1 4 52 8 1 5 39 20 1 6 27 36 1 7 29 37 1 8 41 14 ar 9 41 13 ar 10 9 24 1 11 51 8 1 12 37 12 1 13 37 30 1 14 8 22 1 15 8 53 1 16 24 14 1 17 24 19 am 18 42 1 1 19 12 1 ar 20 12 3 ar 21 45 7 1 22 20 19 1 23 20 23 2 24 44 3 1 25 1 10 ar 26 14 35 ar 27 3 2 ar 28 38 13 1 29 38 33 1 30 38 31 1 31 22 16 1 32 19 18 2 33 13 34 ar 34 47 4 1 35 10 36 1 36 10 11 ar 37 16 4 ar 38 16 15 ar 39 2 11 ar 40 2 43 1 41 4 17 ar 42 36 25 1 43 36 26 1 44 11 7 1 45 21 15 1 46 21 7 1 47 15 5 ar 48 17 23 1 49 17 6 ar 50 23 49 1 51 35 34 ar 52 7 46 1 53 5 6 ar 54 5 48 1 55 6 50 1