@MOLECULE fulvene 12 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.7870 0.0001 0.0000 C.2 1 UNL1 0.0009 2 C 0.1141 -1.1784 0.0002 C.2 1 UNL1 -0.1792 3 C 0.1136 1.1782 -0.0001 C.2 1 UNL1 -0.1794 4 C 1.3954 -0.7381 -0.0002 C.2 1 UNL1 -0.1477 5 C 1.3952 0.7384 0.0001 C.2 1 UNL1 -0.1475 6 C -2.1195 -0.0002 -0.0001 C.2 1 UNL1 -0.2623 7 H -0.2506 -2.1842 0.0003 H 1 UNL1 0.1538 8 H -0.2509 2.1842 0.0000 H 1 UNL1 0.1538 9 H 2.2975 -1.3167 -0.0013 H 1 UNL1 0.1519 10 H 2.2971 1.3173 0.0010 H 1 UNL1 0.1519 11 H -2.7130 0.9029 -0.0005 H 1 UNL1 0.1519 12 H -2.7139 -0.9025 0.0004 H 1 UNL1 0.1520 @BOND 1 9 4 1 2 11 6 1 3 4 5 1 4 4 2 2 5 3 1 1 6 3 8 1 7 3 5 2 8 6 1 2 9 6 12 1 10 1 2 1 11 5 10 1 12 2 7 1