@MOLECULE (3-butyl-2-methyl-4-nitrophenyl)carbamate 18 16 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.1335 0.7237 -2.3234 O.2 1 UNL1 -0.3867 2 O -0.3517 2.6069 -1.3792 O.2 1 UNL1 -0.3217 3 O 5.1241 -0.4221 0.6821 O.2 1 UNL1 -0.3045 4 O 3.0077 0.5584 0.8165 O.2 1 UNL1 -0.3897 5 N -0.1378 1.4144 -1.3563 N.pl3 1 UNL1 0.5587 6 N 2.1418 -1.9678 -0.1914 N.1 1 UNL1 -0.2569 7 C -2.3329 -0.4258 0.2142 C.1 1 UNL1 -0.5050 8 C -1.0547 -0.5148 -0.0870 C.3 1 UNL1 0.2928 9 C -3.5482 -0.2602 0.5641 C.1 1 UNL1 0.5037 10 C -0.3970 -1.7451 -0.4898 C.2 1 UNL1 -0.5760 11 C -4.7688 -0.1082 0.9228 C.1 1 UNL1 -0.7394 12 C -0.2151 0.7108 -0.0412 C.3 1 UNL1 0.2396 13 C 0.9969 -1.8685 -0.3343 C.1 1 UNL1 0.1873 14 C 0.4205 1.1830 0.9898 C.3 1 UNL1 -0.6302 15 C -1.1380 -2.7371 -1.0273 C.2 1 UNL1 0.6562 16 C 1.0870 1.6728 1.9943 C.3 1 UNL1 0.5167 17 C -5.9893 0.0690 1.2914 C.1 1 UNL1 0.4591 18 C 4.0613 0.0515 0.7439 C.1 1 UNL1 0.6961 @BOND 1 1 5 2 2 2 5 2 3 5 12 1 4 15 10 2 5 10 13 1 6 10 8 1 7 13 6 3 8 8 12 1 9 8 7 1 10 12 14 1 11 7 9 3 12 9 11 1 13 3 18 2 14 18 4 2 15 11 17 3 16 14 16 1