@MOLECULE beta-alaninamide 14 13 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2171 1.2426 0.0210 O.2 1 UNL1111111111 -0.5330 2 N 2.6986 -0.2720 -0.0392 N.3 1 UNL1111111111 -0.6550 3 N -2.1697 -0.7898 -0.0216 N.am 1 UNL1111111111 -0.7057 4 C 0.2844 -0.6388 0.0161 C.3 1 UNL1111111111 -0.3754 5 C 1.3967 0.4274 -0.0094 C.3 1 UNL1111111111 -0.0745 6 C -1.0602 0.0393 0.0039 C.2 1 UNL1111111111 0.5980 7 H 0.4051 -1.3115 -0.8599 H 1 UNL1111111111 0.1835 8 H 0.3930 -1.2874 0.9069 H 1 UNL1111111111 0.1677 9 H 1.2836 1.1168 0.8554 H 1 UNL1111111111 0.1291 10 H 1.2945 1.0521 -0.9259 H 1 UNL1111111111 0.1535 11 H 2.9524 -0.6392 0.8618 H 1 UNL1111111111 0.2462 12 H 3.4390 0.3223 -0.3712 H 1 UNL1111111111 0.2525 13 H -3.0872 -0.3913 -0.0315 H 1 UNL1111111111 0.3120 14 H -2.1083 -1.7804 -0.0486 H 1 UNL1111111111 0.3011 @BOND 1 1 6 2 2 2 5 1 3 2 11 1 4 2 12 1 5 3 6 am 6 3 13 1 7 3 14 1 8 4 5 1 9 4 6 1 10 4 7 1 11 4 8 1 12 5 9 1 13 5 10 1