@MOLECULE e-2-butene 12 11 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.9349 0.0930 0.0000 C.3 1 UNL1 -0.4440 2 C -0.5311 -0.4056 0.0000 C.2 1 UNL1 -0.1515 3 C 0.5310 0.4051 0.0000 C.2 1 UNL1 -0.1515 4 C 1.9349 -0.0927 0.0000 C.3 1 UNL1 -0.4440 5 H 0.4304 1.4888 0.0000 H 1 UNL1 0.1410 6 H -1.9996 1.1890 0.0006 H 1 UNL1 0.1487 7 H -2.4812 -0.2644 0.8850 H 1 UNL1 0.1529 8 H -2.4808 -0.2633 -0.8857 H 1 UNL1 0.1529 9 H -0.4314 -1.4893 -0.0000 H 1 UNL1 0.1410 10 H 2.0003 -1.1885 0.0003 H 1 UNL1 0.1488 11 H 2.4811 0.2649 0.8851 H 1 UNL1 0.1529 12 H 2.4807 0.2644 -0.8856 H 1 UNL1 0.1529 @BOND 1 8 1 1 2 12 4 1 3 3 4 1 4 3 5 1 5 3 2 2 6 4 10 1 7 4 11 1 8 9 2 1 9 1 2 1 10 1 6 1 11 1 7 1