@MOLECULE 1-(3,5-dichloro-4-{4-[(trifluoromethyl)sulfonyl]phenoxy}phenyl)-3-methyl-1,3,5-triazinane-2,4,6-trione 42 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 0.0489 1.4214 -1.9558 Cl 1 UNL1 -0.0046 2 CL 0.8983 -3.5117 -0.1766 Cl 1 UNL1 0.0002 3 S -5.6420 -0.2098 0.9510 S.O2 1 UNL1 2.1790 4 F -6.0220 1.7066 -0.9470 F 1 UNL1 -0.2135 5 F -7.0230 2.1536 0.8555 F 1 UNL1 -0.1916 6 F -4.9337 2.4094 0.7117 F 1 UNL1 -0.2158 7 O -0.5331 -1.4372 -1.6234 O.3 1 UNL1 -0.2638 8 O -6.6870 -0.9465 0.3059 O.2 1 UNL1 -0.8354 9 O -5.5107 -0.0980 2.3728 O.2 1 UNL1 -0.8362 10 O 4.9543 1.1514 -1.6976 O.2 1 UNL1 -0.4440 11 O 4.0903 -0.8483 2.3514 O.2 1 UNL1 -0.4428 12 O 8.0921 1.2156 1.6462 O.2 1 UNL1 -0.4483 13 N 4.4618 0.1300 0.2993 N.ar 1 UNL1 -0.5462 14 N 6.5528 1.2183 -0.0602 N.ar 1 UNL1 -0.5234 15 N 6.0953 0.1851 2.0290 N.ar 1 UNL1 -0.6321 16 C 3.1648 -0.2599 -0.1719 C.ar 1 UNL1 0.2141 17 C -4.1083 -0.5716 0.2271 C.ar 1 UNL1 -0.4849 18 C 5.3029 0.8576 -0.5816 C.ar 1 UNL1 0.7141 19 C 0.6525 -1.0133 -1.0642 C.ar 1 UNL1 0.0995 20 C 2.3467 0.6931 -0.7959 C.ar 1 UNL1 -0.1644 21 C 2.7390 -1.5824 0.0168 C.ar 1 UNL1 -0.1652 22 C -1.6714 -1.1140 -0.9378 C.ar 1 UNL1 0.2986 23 C 4.8208 -0.2282 1.6197 C.ar 1 UNL1 0.7159 24 C -2.9299 -0.3229 0.9349 C.ar 1 UNL1 0.0256 25 C -4.0606 -1.1168 -1.0622 C.ar 1 UNL1 0.0140 26 C 1.0904 0.2991 -1.2334 C.ar 1 UNL1 -0.0173 27 C 1.4727 -1.9400 -0.4254 C.ar 1 UNL1 -0.0114 28 C -1.6946 -0.5892 0.3546 C.ar 1 UNL1 -0.3093 29 C -2.8405 -1.3915 -1.6599 C.ar 1 UNL1 -0.2669 30 C 7.0050 0.9010 1.2288 C.ar 1 UNL1 0.7110 31 C -5.9245 1.5853 0.3753 C.3 1 UNL1 0.2489 32 C 7.4870 1.9167 -0.9598 C.3 1 UNL1 -0.2053 33 H 2.6950 1.7207 -0.9421 H 1 UNL1 0.2045 34 H 3.3835 -2.3123 0.5181 H 1 UNL1 0.2053 35 H -2.9579 0.0815 1.9568 H 1 UNL1 0.1781 36 H -4.9844 -1.3354 -1.6166 H 1 UNL1 0.1784 37 H -0.7754 -0.3957 0.9019 H 1 UNL1 0.1777 38 H -2.7749 -1.8077 -2.6633 H 1 UNL1 0.1830 39 H 6.3877 -0.0515 2.9860 H 1 UNL1 0.3661 40 H 8.0845 1.1878 -1.5373 H 1 UNL1 0.1585 41 H 8.1780 2.5561 -0.3765 H 1 UNL1 0.1756 42 H 6.9324 2.5593 -1.6707 H 1 UNL1 0.1745 @BOND 1 38 29 1 2 1 26 1 3 10 18 2 4 42 32 1 5 29 25 ar 6 29 22 ar 7 7 19 1 8 7 22 1 9 36 25 1 10 40 32 1 11 26 19 ar 12 26 20 ar 13 19 27 ar 14 25 17 ar 15 32 41 1 16 32 14 1 17 4 31 1 18 33 20 1 19 22 28 ar 20 20 16 ar 21 18 14 ar 22 18 13 ar 23 27 2 1 24 27 21 ar 25 16 21 ar 26 16 13 1 27 14 30 ar 28 21 34 1 29 17 24 ar 30 17 3 1 31 13 23 ar 32 8 3 2 33 28 37 1 34 28 24 ar 35 31 6 1 36 31 5 1 37 31 3 1 38 24 35 1 39 3 9 2 40 30 12 2 41 30 15 ar 42 23 15 ar 43 23 11 2 44 15 39 1