@MOLECULE p-phenylenediamine 16 16 0 0 0 SMALL USER_CHARGES @ATOM 1 N -2.8010 -0.0009 0.0742 N.pl3 1 UNL11111111 -0.6220 2 N 2.8009 -0.0004 0.0738 N.pl3 1 UNL11111111 -0.6224 3 C -1.3963 0.0001 -0.0160 C.ar 1 UNL11111111 0.1649 4 C 1.3962 0.0004 -0.0153 C.ar 1 UNL11111111 0.1656 5 C -0.6939 1.2166 -0.0167 C.ar 1 UNL11111111 -0.2043 6 C 0.6933 1.2166 -0.0167 C.ar 1 UNL11111111 -0.2047 7 C -0.6931 -1.2161 -0.0167 C.ar 1 UNL11111111 -0.2043 8 C 0.6940 -1.2161 -0.0165 C.ar 1 UNL11111111 -0.2046 9 H -1.2363 2.1583 -0.0064 H 1 UNL11111111 0.1552 10 H 1.2351 2.1587 -0.0058 H 1 UNL11111111 0.1552 11 H -1.2353 -2.1580 -0.0060 H 1 UNL11111111 0.1552 12 H 1.2358 -2.1582 -0.0058 H 1 UNL11111111 0.1552 13 H -3.2700 0.8344 -0.2153 H 1 UNL11111111 0.2777 14 H -3.2691 -0.8356 -0.2184 H 1 UNL11111111 0.2777 15 H 3.2691 -0.8351 -0.2184 H 1 UNL11111111 0.2779 16 H 3.2698 0.8350 -0.2151 H 1 UNL11111111 0.2778 @BOND 1 15 2 1 2 14 1 1 3 13 1 1 4 16 2 1 5 5 6 ar 6 5 3 ar 7 5 9 1 8 7 8 ar 9 7 3 ar 10 7 11 1 11 6 4 ar 12 6 10 1 13 8 4 ar 14 8 12 1 15 3 1 1 16 4 2 1