13
beta-alanine
C          2.92600        1.19810        0.88720
C          2.36280        0.06960        0.02500
C          4.43450        1.15380        0.85170
N          0.90070        0.06890        0.03500
O          5.09330        0.34000        0.21900
O          5.02260        2.12280        1.58810
H          2.58790        2.13960        0.50760
H          2.58930        1.07840        1.89580
H          2.70390        0.19690       -0.98110
H          2.70260       -0.86230        0.42630
H          0.55710       -0.69410       -0.54820
H          0.55780        0.95730       -0.33050
H          4.49580        2.73440        2.06400
