@MOLECULE propionamide 12 11 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.4826 -0.0680 -0.0009 C.2 1 UNL1 0.5986 2 C 0.7441 0.8151 -0.0011 C.3 1 UNL1 -0.3419 3 C 2.0033 -0.0456 0.0010 C.3 1 UNL1 -0.4151 4 O -0.4662 -1.2794 -0.0004 O.2 1 UNL1 -0.5199 5 N -1.7050 0.5897 0.0013 N.am 1 UNL1 -0.7165 6 H 0.7364 1.4793 -0.8890 H 1 UNL1 0.1611 7 H 0.7348 1.4816 0.8851 H 1 UNL1 0.1612 8 H 2.0365 -0.7021 0.8819 H 1 UNL1 0.1602 9 H 2.0353 -0.7083 -0.8752 H 1 UNL1 0.1603 10 H 2.9110 0.5662 -0.0017 H 1 UNL1 0.1412 11 H -1.7933 1.5780 -0.0026 H 1 UNL1 0.2992 12 H -2.5535 0.0598 0.0005 H 1 UNL1 0.3116 @BOND 1 6 2 1 2 9 3 1 3 11 5 1 4 10 3 1 5 2 1 1 6 2 3 1 7 2 7 1 8 1 4 2 9 1 5 am 10 12 5 1 11 3 8 1