44
E = -941.302496194
H         -0.35867        2.56077       -0.18415
O         -1.20348        3.04907       -0.23197
C         -2.20546        2.10128       -0.55427
C         -2.11216        0.78121        0.26965
H         -2.20387        1.85051       -1.63338
H         -3.17226        2.57095       -0.32397
C         -3.40303        0.00553        0.18722
C         -0.89120       -0.01255       -0.18095
H         -1.93746        1.08938        1.31293
C         -3.84328       -0.56853       -1.01429
C         -4.22008       -0.09805        1.32031
O          0.24630        0.65850        0.18489
O         -0.88408       -1.05158       -0.80419
H         -3.21156       -0.51884       -1.90095
C         -5.07132       -1.22784       -1.07540
H         -3.88718        0.34634        2.26165
C         -5.44810       -0.75881        1.26146
C          1.51968        0.07920       -0.24909
H         -5.39794       -1.67298       -2.01689
C         -5.87795       -1.32555        0.06056
H         -6.06845       -0.83196        2.15641
H          1.35757       -0.37846       -1.23130
C          2.51253        1.23288       -0.35641
C          1.97256       -0.99618        0.73710
H         -6.83672       -1.84431        0.01030
H          2.27246        1.83324       -1.24638
H          2.39961        1.89116        0.51893
C          3.96277        0.68922       -0.43377
H          1.34923       -1.88905        0.59492
H          1.80048       -0.63464        1.76275
C          3.47405       -1.32405        0.52579
H          4.52119        1.22151       -1.21557
N          3.88728       -0.74762       -0.77255
C          4.69333        0.74565        0.94046
H          3.62298       -2.41208        0.50614
C          4.38182       -0.62951        1.57985
C          5.14455       -1.28996       -1.27094
H          4.34807        1.59114        1.55033
H          5.77464        0.87621        0.79629
H          3.88601       -0.54858        2.55628
H          5.30326       -1.20763        1.73513
H          5.39694       -0.79974       -2.22196
H          5.02020       -2.36399       -1.46901
H          6.00819       -1.16712       -0.58418
