@MOLECULE propylamine 13 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.9466 0.1407 0.0005 C.3 1 UNL1 -0.4341 2 H 2.7585 -0.5961 0.0014 H 1 UNL1 0.1445 3 H 2.0812 0.7745 -0.8838 H 1 UNL1 0.1448 4 H 2.0800 0.7751 0.8846 H 1 UNL1 0.1448 5 C 0.5806 -0.5405 -0.0005 C.3 1 UNL1 -0.3050 6 H 0.4842 -1.1993 0.8820 H 1 UNL1 0.1365 7 H 0.4854 -1.1990 -0.8835 H 1 UNL1 0.1366 8 C -0.5470 0.5118 -0.0007 C.3 1 UNL1 -0.1021 9 H -0.4578 1.1722 -0.8909 H 1 UNL1 0.1422 10 H -0.4561 1.1734 0.8886 H 1 UNL1 0.1421 11 N -1.9019 -0.0700 0.0005 N.3 1 UNL1 -0.6404 12 H -2.0713 -0.6330 -0.8161 H 1 UNL1 0.2451 13 H -2.0708 -0.6304 0.8189 H 1 UNL1 0.2450 @BOND 1 9 8 1 2 3 1 1 3 7 5 1 4 12 11 1 5 8 5 1 6 8 11 1 7 8 10 1 8 5 1 1 9 5 6 1 10 1 2 1 11 1 4 1 12 11 13 1