44
E = -941.314986871
H         -2.83009        2.58030       -1.10450
O         -3.63955        2.14506       -0.76309
C         -3.35628        1.88413        0.60060
C         -2.10557        1.00883        0.83389
H         -4.23103        1.36239        1.01509
H         -3.22458        2.82700        1.16721
C         -2.22875       -0.42169        0.34142
C         -0.86858        1.64297        0.20748
H         -1.92695        0.96912        1.92117
C         -2.16369       -1.48412        1.25209
C         -2.37726       -0.71107       -1.02361
O          0.25122        1.08670        0.69842
O         -0.88452        2.51532       -0.65126
H         -2.03583       -1.27016        2.31588
C         -2.24757       -2.80707        0.81580
H         -2.43925        0.10657       -1.74148
C         -2.46292       -2.03392       -1.45995
C          1.52494        1.47919        0.07154
H         -2.19126       -3.62142        1.54016
C         -2.39578       -3.08603       -0.54399
H         -2.58009       -2.24331       -2.52464
H          1.45014        2.55722       -0.12933
C          2.62181        1.18867        1.09905
C          1.71755        0.71707       -1.24791
H         -2.45640       -4.11944       -0.88891
H          3.46590        1.86666        0.89443
H          2.25236        1.44631        2.10315
C          3.12685       -0.26871        1.05241
H          2.38768        1.31664       -1.88525
H          0.75854        0.66474       -1.78355
C          2.32285       -0.68802       -1.05630
H          3.95567       -0.38524        1.76907
N          3.58341       -0.63895       -0.29668
C          2.00579       -1.30413        1.27911
H          2.50400       -1.13826       -2.04544
C          1.46899       -1.59548       -0.14989
C          4.67808        0.11902       -0.86470
H          1.22429       -0.92712        1.95025
H          2.42882       -2.21287        1.72657
H          0.39547       -1.39595       -0.24841
H          1.63922       -2.64614       -0.41803
H          4.93973       -0.30669       -1.84513
H          4.49044        1.20426       -1.01364
H          5.55940        0.02356       -0.21258
