@MOLECULE 2-nitrofluoranthene 19 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.5733 0.2183 0.0598 O.2 1 UNL1 -0.3767 2 O 3.6672 2.1740 -0.0657 O.2 1 UNL1 -0.3653 3 N 3.6098 0.9617 -0.0016 N.pl3 1 UNL1 0.6663 4 C -0.2537 -0.8403 0.0001 C.ar 1 UNL1 0.0397 5 C -0.1595 0.5987 0.0064 C.ar 1 UNL1 -0.1429 6 C -1.6501 -1.2684 -0.0033 C.ar 1 UNL1 -0.0522 7 C -1.5154 1.1079 0.0066 C.ar 1 UNL1 0.0186 8 C -2.4510 -0.0740 -0.0005 C.ar 1 UNL1 -0.0131 9 C 0.8930 -1.7005 -0.0020 C.ar 1 UNL1 -0.1416 10 C 1.1019 1.0717 0.0066 C.ar 1 UNL1 0.2104 11 C -1.7861 -2.6234 -0.0085 C.ar 1 UNL1 0.1105 12 C 2.0848 -0.9972 0.0006 C.ar 1 UNL1 0.2349 13 C 2.2991 0.3485 0.0022 C.ar 1 UNL1 -0.2273 14 C -2.1097 2.3296 0.0117 C.ar 1 UNL1 -0.0029 15 C -3.7787 0.2318 -0.0023 C.ar 1 UNL1 0.0015 16 C 0.5312 -3.0504 -0.0085 C.ar 1 UNL1 0.1018 17 C -0.7205 -3.4210 -0.0126 C.ar 1 UNL1 -0.0765 18 C -3.4239 2.5085 0.0103 C.ar 1 UNL1 0.0122 19 C -4.2480 1.4704 0.0029 C.ar 1 UNL1 0.0028 @BOND 1 2 3 2 2 17 16 ar 3 17 11 ar 4 16 9 ar 5 11 6 ar 6 6 8 1 7 6 4 ar 8 15 8 ar 9 15 19 ar 10 9 4 ar 11 9 12 ar 12 3 13 1 13 3 1 2 14 8 7 ar 15 4 5 ar 16 12 13 ar 17 13 10 ar 18 19 18 ar 19 5 10 ar 20 5 7 1 21 7 14 ar 22 18 14 ar