@MOLECULE isobutyramide 15 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.9667 1.0169 -0.7728 O.2 1 UNL1 -0.5257 2 N 1.7402 -0.6357 0.5293 N.am 1 UNL1 -0.7105 3 C -0.7072 -0.2719 0.4121 C.3 1 UNL1 -0.1490 4 C -1.2711 -1.2094 -0.6578 C.3 1 UNL1 -0.4423 5 C -1.5438 1.0023 0.5270 C.3 1 UNL1 -0.4370 6 C 0.7049 0.1141 -0.0074 C.2 1 UNL1 0.5839 7 H -0.6995 -0.7929 1.3988 H 1 UNL1 0.1441 8 H -2.3086 -1.4850 -0.4360 H 1 UNL1 0.1515 9 H -0.6909 -2.1350 -0.7382 H 1 UNL1 0.1448 10 H -1.2664 -0.7307 -1.6477 H 1 UNL1 0.1643 11 H -1.1703 1.6594 1.3213 H 1 UNL1 0.1494 12 H -1.5097 1.5840 -0.4071 H 1 UNL1 0.1708 13 H -2.5933 0.7764 0.7412 H 1 UNL1 0.1460 14 H 1.5961 -1.4035 1.1414 H 1 UNL1 0.2992 15 H 2.6857 -0.4324 0.2732 H 1 UNL1 0.3105 @BOND 1 10 4 1 2 1 6 2 3 9 4 1 4 4 8 1 5 4 3 1 6 12 5 1 7 6 3 1 8 6 2 am 9 15 2 1 10 3 5 1 11 3 7 1 12 5 13 1 13 5 11 1 14 2 14 1