@MOLECULE propane 11 10 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 H -2.1672 0.3419 -0.0002 H 1 UNL1 0.1386 2 C -1.2616 -0.2742 0.0001 C.3 1 UNL1 -0.4390 3 H -1.3032 -0.9235 0.8816 H 1 UNL1 0.1422 4 H -1.3026 -0.9213 -0.8834 H 1 UNL1 0.1421 5 C 0.0002 0.5898 0.0001 C.3 1 UNL1 -0.2294 6 H 0.0000 1.2571 -0.8829 H 1 UNL1 0.1306 7 H -0.0004 1.2571 0.8831 H 1 UNL1 0.1307 8 C 1.2617 -0.2744 0.0000 C.3 1 UNL1 -0.4388 9 H 1.3019 -0.9221 0.8829 H 1 UNL1 0.1422 10 H 1.3021 -0.9214 -0.8835 H 1 UNL1 0.1422 11 H 2.1670 0.3420 0.0004 H 1 UNL1 0.1386 @BOND 1 10 8 1 2 4 2 1 3 6 5 1 4 1 2 1 5 8 5 1 6 8 11 1 7 8 9 1 8 5 2 1 9 5 7 1 10 2 3 1