@MOLECULE p-nitrophenylcarbamate 13 11 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.6945 -2.9020 -0.0553 C.1 1 UNL1 0.4900 2 C 1.3350 -1.7734 -0.0442 C.1 1 UNL1 -0.6424 3 C 2.0068 -0.6525 -0.0110 C.3 1 UNL1 0.3194 4 C 1.4774 0.6475 0.0850 C.1 1 UNL1 -0.0607 5 C 0.9950 1.7615 0.1555 C.1 1 UNL1 0.0361 6 C 0.4473 3.0183 0.2310 C.1 1 UNL1 0.1299 7 N -0.0181 4.0782 0.2918 N.1 1 UNL1 -0.1379 8 C -5.9602 -0.5912 -0.0535 C.1 1 UNL1 0.6464 9 O -6.2363 0.3301 -0.7159 O.2 1 UNL1 -0.3180 10 O -5.6809 -1.5136 0.6070 O.2 1 UNL1 -0.3284 11 N 3.5074 -0.6931 -0.1039 N.pl3 1 UNL1 0.5504 12 O 4.0825 -1.5617 0.5169 O.2 1 UNL1 -0.3307 13 O 4.0325 0.1510 -0.8035 O.2 1 UNL1 -0.3541 @BOND 1 13 11 2 2 9 8 2 3 11 3 1 4 11 12 2 5 1 2 3 6 8 10 2 7 2 3 1 8 3 4 1 9 4 5 3 10 5 6 1 11 6 7 3