44
E = -941.316100765
H         -3.15996       -2.25490        1.14965
O         -3.89900       -1.73046        0.77535
C         -3.55889       -1.55923       -0.58947
C         -2.20071       -0.86203       -0.82281
H         -3.54007       -2.53156       -1.12011
H         -4.35045       -0.94458       -1.04213
C         -2.14816        0.58933       -0.38184
C         -1.06899       -1.62868       -0.14702
H         -1.99812       -0.88513       -1.90635
C         -1.93725        1.60134       -1.32720
C         -2.27861        0.94488        0.96940
O          0.12320       -1.24093       -0.62867
O         -1.21593       -2.46135        0.73834
H         -1.82178        1.33410       -2.38029
C         -1.86088        2.93952       -0.93874
H         -2.45273        0.16830        1.71392
C         -2.20384        2.28322        1.35797
C          1.32279       -1.77786        0.03854
H         -1.69274        3.71332       -1.68976
C         -1.99245        3.28447        0.40754
H         -2.30922        2.54451        2.41239
H          1.10456       -2.83033        0.26494
C          1.59030       -1.01104        1.33904
C          2.46896       -1.65994       -0.96602
H         -1.92859        4.32938        0.71531
H          2.19322       -1.66116        1.99141
H          0.63779       -0.82541        1.85633
C          2.36831        0.29308        1.12094
H          3.22816       -2.41179       -0.70278
H          2.09235       -1.90312       -1.97112
C          3.14759       -0.28283       -0.94583
H          2.59499        0.74053        2.10005
N          3.62985       -0.06035        0.43377
C          1.64772        1.28846        0.16994
H          4.00244       -0.29460       -1.63816
C          2.16730        0.89093       -1.23434
C          4.63749        0.99031        0.52038
H          0.55602        1.22953        0.25094
H          1.93149        2.32092        0.41625
H          1.35660        0.59532       -1.91152
H          2.70240        1.72512       -1.70880
H          5.53346        0.67836       -0.03544
H          4.31543        1.97590        0.12322
H          4.92554        1.12811        1.57249
