44
E = -941.305354032
H          2.75408        3.42135       -0.11351
O          3.28035        3.01033       -0.82753
C          3.36906        1.64285       -0.47224
C          2.01184        0.90947       -0.56389
H          4.06474        1.16869       -1.17995
H          3.77566        1.50994        0.54616
C          2.17475       -0.55201       -0.20253
C          0.99624        1.61081        0.34268
H          1.66502        0.99060       -1.60713
C          2.19013       -1.54117       -1.19373
C          2.35542       -0.93384        1.13500
O         -0.31362        1.29811        0.25891
O          1.32810        2.46224        1.15220
H          2.05655       -1.25408       -2.23993
C          2.36758       -2.88425       -0.85848
H          2.34329       -0.17241        1.91842
C          2.53443       -2.27591        1.47229
C         -0.85836        0.28562       -0.65152
H          2.37292       -3.64292       -1.64297
C          2.53736       -3.25578        0.47699
H          2.66819       -2.55758        2.51805
H         -0.09573        0.05326       -1.40522
C         -2.08151        0.90642       -1.34070
C         -1.20098       -0.98501        0.13944
H          2.67267       -4.30568        0.74105
H         -2.22015        0.39630       -2.30792
H         -1.86734        1.96086       -1.57055
C         -3.37798        0.77304       -0.51510
H         -1.17305       -1.83510       -0.56156
H         -0.41081       -1.17734        0.87889
C         -2.58679       -0.92482        0.81100
H         -4.21911        1.17940       -1.09924
N         -3.65126       -0.62895       -0.16182
C         -3.27026        1.41486        0.88238
H         -2.79046       -1.89075        1.30030
C         -2.73278        0.26539        1.78024
C         -3.84582       -1.56759       -1.24630
H         -4.26554        1.73381        1.21766
H         -2.61051        2.29066        0.88568
H         -1.78270        0.52321        2.26397
H         -3.45881        0.01568        2.56465
H         -2.97993       -1.70433       -1.92983
H         -4.69979       -1.23974       -1.85797
H         -4.09301       -2.55496       -0.82806
