@MOLECULE n-methylguanine 19 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.2125 2.6353 0.0037 O.2 1 UNL1 -0.4384 2 N 0.3776 -1.4356 0.0811 N.ar 1 UNL1 -0.5066 3 N -2.5424 0.5967 -0.0307 N.ar 1 UNL1 -0.2771 4 N -2.0980 -1.6289 -0.0148 N.ar 1 UNL1 -0.4190 5 N 1.2066 0.8411 0.0511 N.ar 1 UNL1 -0.6203 6 N 2.6884 -0.9950 -0.0822 N.pl3 1 UNL1 -0.4973 7 C -1.1607 0.4648 0.0082 C.ar 1 UNL1 -0.2467 8 C -0.9076 -0.9264 0.0205 C.ar 1 UNL1 0.2647 9 C 1.4054 -0.4602 0.0370 C.ar 1 UNL1 0.5724 10 C -0.0695 1.4384 0.0160 C.ar 1 UNL1 0.6257 11 C -3.0724 -0.6855 -0.0433 C.ar 1 UNL1 0.1240 12 C 3.8012 -0.0296 -0.0521 C.3 1 UNL1 -0.2264 13 H 0.5363 -2.4234 -0.0597 H 1 UNL1 0.3379 14 H -3.0236 1.4719 -0.0404 H 1 UNL1 0.3335 15 H -4.1295 -0.9023 -0.0741 H 1 UNL1 0.1983 16 H 2.8745 -1.8646 0.4057 H 1 UNL1 0.2984 17 H 4.7323 -0.5506 -0.3244 H 1 UNL1 0.1436 18 H 3.9176 0.4623 0.9291 H 1 UNL1 0.1488 19 H 3.6192 0.7755 -0.7954 H 1 UNL1 0.1846 @BOND 1 19 12 1 2 17 12 1 3 6 12 1 4 6 9 1 5 6 16 1 6 15 11 1 7 13 2 1 8 12 18 1 9 11 3 ar 10 11 4 ar 11 14 3 1 12 3 7 ar 13 4 8 ar 14 1 10 2 15 7 10 ar 16 7 8 ar 17 10 5 ar 18 8 2 ar 19 9 5 ar 20 9 2 ar