test2.xyz

28
	Energy:      19.7059389
N          3.78565        0.11546       -3.20089
C          3.48275       -0.15923       -2.11377
C          3.08765       -0.48313       -0.72877
C          3.71426       -1.73586       -0.27470
N          4.20701       -2.73015        0.07211
C          3.53730        0.63662        0.17314
C          2.52980        1.24210        0.80170
N          2.67621        2.27426        1.68983
C          1.25611        0.63679        0.45552
C          0.07684        1.00720        0.98054
C         -1.22259        0.41550        0.71783
C         -2.47609        1.19612        1.00674
N         -2.45224        1.94239        2.14882
O         -3.48692        1.13009        0.31885
C         -1.44607       -0.84729        0.31208
C         -0.47605       -1.89453        0.09250
C          0.79753       -1.75543       -0.30595
C          1.51993       -0.45127       -0.59038
H          4.57617        0.91186        0.31262
H          2.14983        2.08121        2.54229
H          2.23339        3.11384        1.31124
H          0.06204        1.85294        1.66057
H         -3.32098        2.38483        2.41969
H         -1.73564        1.84323        2.85203
H         -2.47764       -1.18282        0.18192
H         -0.86887       -2.90442        0.21920
H          1.33223       -2.68646       -0.49310
H          1.10252       -0.08249       -1.54140