@MOLECULE 1,4-diisocyanobenzene 14 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -2.7709 -0.0000 -0.0000 N.1 1 UNL1 -0.5427 2 N 2.7709 -0.0001 -0.0000 N.1 1 UNL1 -0.5428 3 C -1.3886 0.0004 0.0001 C.ar 1 UNL1 0.2145 4 C 1.3886 0.0003 0.0000 C.ar 1 UNL1 0.2145 5 C -0.6940 1.2204 0.0000 C.ar 1 UNL1 -0.1743 6 C 0.6940 1.2203 -0.0000 C.ar 1 UNL1 -0.1742 7 C -0.6940 -1.2197 0.0001 C.ar 1 UNL1 -0.1743 8 C 0.6939 -1.2197 -0.0000 C.ar 1 UNL1 -0.1743 9 C -3.9546 -0.0010 -0.0000 C.1 1 UNL1 0.3251 10 C 3.9547 -0.0009 -0.0000 C.1 1 UNL1 0.3251 11 H -1.2453 2.1609 -0.0001 H 1 UNL1 0.1758 12 H 1.2453 2.1609 -0.0001 H 1 UNL1 0.1758 13 H -1.2456 -2.1603 -0.0001 H 1 UNL1 0.1758 14 H 1.2453 -2.1602 0.0001 H 1 UNL1 0.1758 @BOND 1 13 7 1 2 12 6 1 3 11 5 1 4 4 6 ar 5 4 8 ar 6 4 2 1 7 5 6 ar 8 5 3 ar 9 1 9 3 10 1 3 1 11 8 7 ar 12 8 14 1 13 10 2 3 14 3 7 ar