@MOLECULE 1,2-hexadiene 16 15 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.9351 0.2695 0.0430 C.3 1 UNL111111111 -0.2414 2 C -0.6444 0.9468 -0.4503 C.3 1 UNL111111111 -0.2523 3 C -1.7818 -1.2517 0.0217 C.3 1 UNL111111111 -0.4382 4 C 0.4869 0.6757 0.4896 C.2 1 UNL111111111 -0.2124 5 C 1.5852 0.0666 0.1344 C.1 1 UNL111111111 0.0204 6 C 2.6821 -0.5558 -0.1852 C.2 1 UNL111111111 -0.3713 7 H -2.7853 0.5739 -0.5959 H 1 UNL111111111 0.1330 8 H -2.1828 0.6141 1.0626 H 1 UNL111111111 0.1352 9 H -0.4110 0.5923 -1.4731 H 1 UNL111111111 0.1461 10 H -0.8012 2.0426 -0.5388 H 1 UNL111111111 0.1434 11 H -2.6641 -1.7524 0.4303 H 1 UNL111111111 0.1391 12 H -1.6296 -1.6236 -0.9959 H 1 UNL111111111 0.1424 13 H -0.9165 -1.5680 0.6168 H 1 UNL111111111 0.1495 14 H 0.3331 1.0108 1.5184 H 1 UNL111111111 0.1682 15 H 3.5758 -0.0615 -0.5413 H 1 UNL111111111 0.1695 16 H 2.7981 -1.6286 -0.1165 H 1 UNL111111111 0.1687 @BOND 1 9 2 1 2 12 3 1 3 7 1 1 4 15 6 1 5 10 2 1 6 2 1 1 7 2 4 1 8 6 16 1 9 6 5 2 10 3 1 1 11 3 11 1 12 3 13 1 13 1 8 1 14 5 4 2 15 4 14 1