@MOLECULE m-phenylenediamine 16 16 0 0 0 SMALL USER_CHARGES @ATOM 1 N -2.4066 0.9904 0.0020 N.pl3 1 UNL11111111 -0.6503 2 N 2.4070 0.9900 -0.0007 N.pl3 1 UNL11111111 -0.6505 3 C -1.2086 0.3015 -0.0011 C.ar 1 UNL11111111 0.3649 4 C 1.2078 0.3028 0.0002 C.ar 1 UNL11111111 0.3650 5 C -0.0007 1.0183 -0.0004 C.ar 1 UNL11111111 -0.4725 6 C -1.2126 -1.1104 -0.0003 C.ar 1 UNL11111111 -0.4044 7 C 1.2129 -1.1090 0.0003 C.ar 1 UNL11111111 -0.4045 8 C 0.0005 -1.7872 0.0001 C.ar 1 UNL11111111 0.0273 9 H -0.0015 2.0976 -0.0006 H 1 UNL11111111 0.1623 10 H -2.1457 -1.6556 -0.0002 H 1 UNL11111111 0.1578 11 H 2.1467 -1.6530 0.0003 H 1 UNL11111111 0.1577 12 H 0.0007 -2.8790 0.0004 H 1 UNL11111111 0.1383 13 H -3.2737 0.5077 -0.0053 H 1 UNL11111111 0.3027 14 H -2.4276 1.9823 -0.0080 H 1 UNL11111111 0.3017 15 H 2.4297 1.9818 0.0059 H 1 UNL11111111 0.3016 16 H 3.2733 0.5060 0.0038 H 1 UNL11111111 0.3029 @BOND 1 14 1 1 2 13 1 1 3 3 5 ar 4 3 6 ar 5 3 1 1 6 9 5 1 7 2 4 1 8 2 16 1 9 2 15 1 10 5 4 ar 11 6 10 1 12 6 8 ar 13 8 7 ar 14 8 12 1 15 4 7 ar 16 7 11 1