@MOLECULE 2-amino-2,3-dihydro-1h-purine-6,8-dione 12 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -3.1104 -1.5857 0.0085 N.pl3 1 UNL1 -0.0086 2 C -1.9260 -0.8784 0.0012 C.2 1 UNL1 0.4969 3 N -2.0065 0.4271 0.0071 N.am 1 UNL1 -0.4792 4 C -1.0504 1.4670 -0.0001 C.2 1 UNL1 0.5676 5 O -1.4598 2.5968 -0.0088 O.2 1 UNL1 -0.2145 6 C 0.3781 1.1820 0.0049 C.3 1 UNL1 -0.0784 7 N 1.5675 1.0869 0.0055 N.2 1 UNL1 -0.2037 8 C 2.4351 -0.1381 0.0010 C.1 1 UNL1 0.6661 9 O 3.6134 -0.0786 -0.0016 O.2 1 UNL1 -0.2419 10 N 1.6557 -1.3182 0.0058 N.am 1 UNL1 -0.5120 11 C 0.4172 -1.3872 -0.0037 C.3 1 UNL1 0.5092 12 N -0.7841 -1.6968 -0.0177 N.pl3 1 UNL1 -0.5014 @BOND 1 12 11 1 2 12 2 1 3 5 4 2 4 11 10 1 5 9 8 2 6 4 6 1 7 4 3 1 8 8 7 2 9 8 10 am 10 2 3 2 11 2 1 1 12 6 7 1