@MOLECULE 1,4,5,6-tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile 14 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.7379 -1.4254 0.0010 O.2 1 UNL1 -0.3691 2 O 2.7376 1.4256 0.0005 O.2 1 UNL1 -0.3690 3 N 0.4888 -1.4002 -0.0015 N.ar 1 UNL1 -0.4952 4 N 0.4887 1.4000 0.0004 N.ar 1 UNL1 -0.4952 5 N -2.8858 -2.0779 0.0009 N.1 1 UNL1 -0.1396 6 N -2.8856 2.0782 0.0004 N.1 1 UNL1 -0.1396 7 C -0.7120 -0.6867 -0.0006 C.ar 1 UNL1 0.1166 8 C -0.7120 0.6865 -0.0014 C.ar 1 UNL1 0.1165 9 C 1.7360 -0.7611 0.0003 C.ar 1 UNL1 0.4777 10 C 1.7360 0.7610 -0.0009 C.ar 1 UNL1 0.4778 11 C -1.9142 -1.4508 0.0000 C.1 1 UNL1 0.0664 12 C -1.9143 1.4506 0.0004 C.1 1 UNL1 0.0664 13 H 0.4606 -2.4201 -0.0005 H 1 UNL1 0.3430 14 H 0.4594 2.4199 -0.0012 H 1 UNL1 0.3430 @BOND 1 3 7 ar 2 3 13 1 3 3 9 ar 4 8 7 ar 5 8 4 ar 6 8 12 1 7 14 4 1 8 10 9 ar 9 10 4 ar 10 10 2 2 11 7 11 1 12 11 5 3 13 9 1 2 14 6 12 3