@MOLECULE 1,4-dioxidopyrazine-1,4-diium 12 12 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.6422 -0.0003 0.0001 O.3 1 UNL11111111 -0.4643 2 O 2.6422 0.0002 0.0001 O.3 1 UNL11111111 -0.4642 3 N -1.3967 0.0001 0.0000 N.ar 1 UNL11111111 0.3438 4 N 1.3968 -0.0001 -0.0000 N.ar 1 UNL11111111 0.3438 5 C -0.6939 1.1820 -0.0001 C.ar 1 UNL11111111 -0.1541 6 C 0.6935 1.1818 -0.0000 C.ar 1 UNL11111111 -0.1543 7 C 0.6939 -1.1820 -0.0000 C.ar 1 UNL11111111 -0.1541 8 C -0.6936 -1.1817 -0.0000 C.ar 1 UNL11111111 -0.1543 9 H -1.2722 2.1140 -0.0001 H 1 UNL11111111 0.2144 10 H 1.2726 2.1131 -0.0001 H 1 UNL11111111 0.2144 11 H 1.2722 -2.1139 -0.0001 H 1 UNL11111111 0.2144 12 H -1.2726 -2.1131 -0.0001 H 1 UNL11111111 0.2144 @BOND 1 12 8 1 2 11 7 1 3 10 6 1 4 9 5 1 5 5 6 ar 6 5 3 ar 7 6 4 ar 8 7 8 ar 9 7 4 ar 10 8 3 ar 11 4 2 1 12 3 1 1