@MOLECULE dinitromethane 9 8 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0011 -0.9042 0.0010 C.3 1 UNL111111111 0.4314 2 N 1.2324 -0.0532 0.1230 N.pl3 1 UNL111111111 -0.0979 3 N -1.2324 -0.0503 -0.1226 N.pl3 1 UNL111111111 -0.1105 4 H -0.0801 -1.5608 0.9057 H 1 UNL111111111 0.1080 5 H 0.0758 -1.5624 -0.9031 H 1 UNL111111111 0.0934 6 O 2.1745 -0.3777 -0.5676 O.2 1 UNL111111111 -0.1394 7 O 1.2013 0.8569 0.9201 O.2 1 UNL111111111 -0.0728 8 O -1.1941 0.8672 -0.9107 O.2 1 UNL111111111 -0.1238 9 O -2.1806 -0.3803 0.5570 O.2 1 UNL111111111 -0.0884 @BOND 1 8 3 2 2 5 1 1 3 6 2 2 4 3 1 1 5 3 9 2 6 1 2 1 7 1 4 1 8 2 7 2