@MOLECULE trans-piperylene 13 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.4706 0.2689 -0.0000 C.2 1 UNL1 -0.3177 2 C -1.3157 -0.4042 -0.0000 C.2 1 UNL1 -0.1178 3 C -0.0182 0.2594 -0.0000 C.2 1 UNL1 -0.2011 4 C 1.1362 -0.4216 0.0000 C.2 1 UNL1 -0.1046 5 H -2.5379 1.3453 0.0001 H 1 UNL1 0.1447 6 H -3.4367 -0.2102 0.0000 H 1 UNL1 0.1439 7 H -0.0367 1.3496 0.0000 H 1 UNL1 0.1520 8 C 2.4694 0.2381 -0.0000 C.3 1 UNL1 -0.4509 9 H 3.0560 -0.0532 0.8844 H 1 UNL1 0.1573 10 H 2.4065 1.3347 0.0015 H 1 UNL1 0.1530 11 H 3.0546 -0.0509 -0.8861 H 1 UNL1 0.1574 12 H -1.2981 -1.4961 -0.0000 H 1 UNL1 0.1425 13 H 1.1630 -1.5111 0.0001 H 1 UNL1 0.1413 @BOND 1 11 8 1 2 2 3 1 3 2 12 1 4 2 1 2 5 3 4 2 6 3 7 1 7 4 8 1 8 4 13 1 9 6 1 1 10 8 10 1 11 8 9 1 12 1 5 1