@MOLECULE methyl {[2-nitro-4-(trifluoromethyl)phenyl]carbamothioyl}carbamate 21 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -4.4090 1.3538 0.1210 S.2 1 UNL1 -0.1345 2 F 3.9070 -1.0101 0.1069 F 1 UNL1 -0.1847 3 F 4.6878 0.9111 -0.3003 F 1 UNL1 -0.1675 4 F 3.9391 0.4599 1.6271 F 1 UNL1 -0.1732 5 O -0.3406 -1.2374 -2.4482 O.2 1 UNL1 -0.3816 6 O -2.0286 -0.0597 -1.8015 O.2 1 UNL1 -0.3900 7 O 1.6373 -2.0605 0.0730 O.2 1 UNL1 -0.5242 8 O -3.7228 -2.6290 1.3844 O.2 1 UNL1 -0.2454 9 N -1.8285 1.5994 0.5262 N.am 1 UNL1 -0.3341 10 N -0.8596 -0.3964 -1.7350 N.pl3 1 UNL1 0.6792 11 N -2.6797 -0.5282 0.9402 N.am 1 UNL1 -0.5842 12 C -0.6468 1.3915 0.1148 C.ar 1 UNL1 0.3682 13 C 2.3524 0.7527 -0.0897 C.ar 1 UNL1 -0.1634 14 C -0.0392 0.2248 -0.7413 C.ar 1 UNL1 -0.3101 15 C 1.2838 0.0865 -0.5888 C.ar 1 UNL1 0.3931 16 C 0.5083 2.2279 0.2765 C.ar 1 UNL1 -0.0577 17 C 1.7280 2.0008 0.2029 C.ar 1 UNL1 -0.0022 18 C 3.6963 0.2866 0.3298 C.3 1 UNL1 0.5735 19 C -2.9474 0.7668 0.5020 C.2 1 UNL1 0.4646 20 C -3.3472 -1.5564 1.1318 C.1 1 UNL1 0.6262 21 C 1.5485 -3.1783 0.3041 C.2 1 UNL1 0.5480 @BOND 1 5 10 2 2 6 10 2 3 10 14 1 4 14 15 ar 5 14 12 ar 6 15 13 ar 7 3 18 1 8 13 17 ar 9 13 18 1 10 7 21 2 11 2 18 1 12 12 16 ar 13 12 9 1 14 1 19 2 15 17 16 ar 16 18 4 1 17 19 9 1 18 19 11 1 19 11 20 2 20 20 8 2