@MOLECULE 2-[(2,4-dichloro-5-methylphenyl)sulfonyl]-1,3-dinitro-5-(trifluoromethyl)benzene 28 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 3.6450 -1.3529 1.8318 Cl 1 UNL1 0.0925 2 CL 5.0088 2.5820 -1.4202 Cl 1 UNL1 0.0569 3 S 0.6827 -1.7712 0.2402 S.O2 1 UNL1 2.2112 4 F -4.5328 2.6588 -0.5251 F 1 UNL1 -0.1741 5 F -5.1276 1.7363 1.2841 F 1 UNL1 -0.1709 6 F -5.6137 0.8395 -0.5706 F 1 UNL1 -0.1713 7 O 0.8138 -2.2972 1.5615 O.2 1 UNL1 -0.7850 8 O 0.5427 -2.6135 -0.9132 O.2 1 UNL1 -0.8384 9 O -0.1811 2.2569 2.0299 O.2 1 UNL1 -0.3372 10 O -1.8648 -2.3165 -2.5511 O.2 1 UNL1 -0.3254 11 O 0.9825 0.4438 2.0494 O.2 1 UNL1 -0.3906 12 O -2.1581 -3.4791 -0.7442 O.2 1 UNL1 -0.3381 13 N 0.0007 1.0940 1.7353 N.pl3 1 UNL1 0.6383 14 N -1.9569 -2.4553 -1.3546 N.pl3 1 UNL1 0.6663 15 C -0.8534 -0.7630 0.2162 C.ar 1 UNL1 -0.1712 16 C 1.9271 -0.5777 -0.1202 C.ar 1 UNL1 -0.3268 17 C -1.0197 0.4468 0.9199 C.ar 1 UNL1 -0.1772 18 C -1.9361 -1.2124 -0.5476 C.ar 1 UNL1 -0.1487 19 C -3.3553 0.7180 0.1096 C.ar 1 UNL1 -0.2459 20 C -2.2376 1.0770 0.8151 C.ar 1 UNL1 0.2255 21 C -3.0788 -0.4514 -0.5443 C.ar 1 UNL1 0.1987 22 C 1.7176 0.3065 -1.1609 C.ar 1 UNL1 -0.2741 23 C 3.1598 -0.4234 0.5283 C.ar 1 UNL1 0.0695 24 C 2.6323 1.2815 -1.5887 C.ar 1 UNL1 -0.3114 25 C 4.0022 0.5595 0.0474 C.ar 1 UNL1 -0.0136 26 C 3.8677 1.4493 -0.9715 C.ar 1 UNL1 0.0677 27 C -4.6388 1.4749 0.0737 C.3 1 UNL1 0.5623 28 C 1.3726 1.1861 -2.2828 C.3 1 UNL1 0.4110 @BOND 1 10 14 2 2 28 24 1 3 28 22 1 4 24 22 ar 5 24 26 ar 6 2 26 1 7 14 12 2 8 14 18 1 9 22 16 ar 10 26 25 ar 11 8 3 2 12 6 27 1 13 18 21 ar 14 18 15 ar 15 21 19 ar 16 4 27 1 17 16 3 1 18 16 23 ar 19 25 23 ar 20 27 19 1 21 27 5 1 22 19 20 ar 23 15 3 1 24 15 17 ar 25 3 7 2 26 23 1 1 27 20 17 ar 28 17 13 1 29 13 9 2 30 13 11 2