@MOLECULE cycloheptatriene 15 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.4412 -0.6190 0.2006 C.2 1 UNL1 -0.1477 2 C -0.3956 -1.4951 -0.2960 C.2 1 UNL1 -0.1821 3 C 0.9198 -1.2511 -0.1886 C.2 1 UNL1 -0.1153 4 C 1.4671 -0.0555 0.5259 C.3 1 UNL1 -0.2895 5 H -2.3404 -1.1307 0.5536 H 1 UNL1 0.1453 6 H -0.7521 -2.4018 -0.7910 H 1 UNL1 0.1495 7 H 1.6610 -1.9230 -0.6147 H 1 UNL1 0.1406 8 H 2.5710 -0.0980 0.6011 H 1 UNL1 0.1441 9 H 1.1000 -0.0407 1.5787 H 1 UNL1 0.1649 10 C -1.3871 0.7270 0.2056 C.2 1 UNL1 -0.1477 11 H -2.2411 1.3070 0.5660 H 1 UNL1 0.1454 12 C -0.2802 1.5201 -0.2972 C.2 1 UNL1 -0.1820 13 C 1.0137 1.1777 -0.1903 C.2 1 UNL1 -0.1155 14 H -0.5686 2.4478 -0.7966 H 1 UNL1 0.1496 15 H 1.8035 1.7900 -0.6188 H 1 UNL1 0.1406 @BOND 1 14 12 1 2 6 2 1 3 15 13 1 4 7 3 1 5 12 13 2 6 12 10 1 7 2 3 2 8 2 1 1 9 13 4 1 10 3 4 1 11 1 10 2 12 1 5 1 13 10 11 1 14 4 8 1 15 4 9 1