@MOLECULE 3-amino-1,2,4-triazin-5(2h)-one 12 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.2908 1.0123 -0.0030 O.2 1 UNL1 -0.3911 2 N -1.1083 -1.0705 -0.0662 N.ar 1 UNL1 -0.4023 3 N 0.0076 1.0540 -0.0309 N.ar 1 UNL1 -0.6057 4 N 0.0581 -1.7557 0.0250 N.ar 1 UNL1 -0.0869 5 N -2.3343 0.9713 0.0737 N.pl3 1 UNL1 -0.6038 6 C -1.1022 0.3425 -0.0182 C.ar 1 UNL1 0.5332 7 C 1.2550 0.4025 0.0014 C.ar 1 UNL1 0.5564 8 C 1.1765 -1.0949 0.0273 C.ar 1 UNL1 -0.1947 9 H -1.9272 -1.6381 0.1386 H 1 UNL1 0.3460 10 H 2.1157 -1.6580 0.0593 H 1 UNL1 0.2161 11 H -3.1441 0.5412 -0.3281 H 1 UNL1 0.3027 12 H -2.3198 1.9846 0.0291 H 1 UNL1 0.3301 @BOND 1 11 5 1 2 2 6 ar 3 2 4 ar 4 2 9 1 5 3 6 ar 6 3 7 ar 7 6 5 1 8 1 7 2 9 7 8 ar 10 4 8 ar 11 8 10 1 12 12 5 1