@MOLECULE 8-nitroguanine 18 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.6413 2.6216 0.0074 O.2 1 UNL1 -0.4039 2 O -3.7537 -1.2297 0.0200 O.2 1 UNL1 -0.2818 3 O -3.6806 0.9335 0.0139 O.2 1 UNL1 -0.4144 4 N -0.9820 1.0070 -0.0023 N.ar 1 UNL1 -0.2014 5 N 1.5496 -1.4961 -0.0591 N.ar 1 UNL1 -0.5007 6 N -0.9195 -1.2822 -0.0155 N.ar 1 UNL1 -0.3356 7 N 2.7453 0.6167 -0.0230 N.ar 1 UNL1 -0.6193 8 N -3.1640 -0.1763 0.0112 N.pl3 1 UNL1 0.6402 9 N 3.9099 -1.3986 0.0978 N.pl3 1 UNL1 -0.6006 10 C 0.3422 0.6400 -0.0142 C.ar 1 UNL1 -0.2037 11 C 0.3633 -0.7839 -0.0248 C.ar 1 UNL1 0.2480 12 C -1.7142 -0.1758 -0.0027 C.ar 1 UNL1 0.1161 13 C 1.5948 1.4200 -0.0046 C.ar 1 UNL1 0.6207 14 C 2.7190 -0.7020 -0.0086 C.ar 1 UNL1 0.5968 15 H -1.3439 1.9477 0.0042 H 1 UNL1 0.3557 16 H 1.5421 -2.5003 0.0564 H 1 UNL1 0.3430 17 H 3.9856 -2.3306 -0.2570 H 1 UNL1 0.3065 18 H 4.7591 -0.8468 0.0693 H 1 UNL1 0.3344 @BOND 1 17 9 1 2 5 11 ar 3 5 14 ar 4 5 16 1 5 11 6 ar 6 11 10 ar 7 7 14 ar 8 7 13 ar 9 6 12 ar 10 10 13 ar 11 10 4 ar 12 14 9 1 13 13 1 2 14 12 4 ar 15 12 8 1 16 4 15 1 17 8 3 2 18 8 2 2 19 18 9 1