 43
 Energy -1222.49825806
 C   -1.80439901  -1.20206988   0.32516046   162.00
 C   -1.71286673  -2.47852616  -0.25690855   108.60
 C   -0.43610706  -3.03181203  -0.47772709   169.49
 C    0.78906480  -2.33546494  -0.14466336   101.08
 C    0.61672761  -1.07974494   0.47389905   160.57
 C   -0.63073866  -0.54393761   0.75503583   101.28
 O    1.64576162  -0.26104162   0.86283747
 C   -0.46107793   0.79777375   1.45473063    57.77
 C    1.06983023   0.77300375   1.71689115    88.77
 C   -0.94949675   1.84591516   0.43317304   198.50
 C    1.78766090   2.08599942   1.46767361    35.85
 C    1.38474123   2.76134218   0.18133561   200.87
 C    0.02468117   2.66259606  -0.27909912   112.92
 C    2.06410162  -2.96554442  -0.45035726   197.88
 C    3.37489433  -2.28168067  -0.13217029    26.87
 O    2.10408880  -4.09682268  -0.99028466
 O   -0.37295029  -4.23615310  -1.04685312
 C   -2.93976153  -3.23256031  -0.69561786     1.48
 O   -3.01795510  -0.62194762   0.45368049
 O   -2.17027755   1.89499078   0.20213574
 C   -0.31473410   3.40051518  -1.45233343   201.78
 C   -1.66905398   3.43056609  -2.07867560    23.13
 O    0.59811092   4.09828754  -2.05175346
 O    2.24752753   3.45193369  -0.43201502
 C   -1.23275714   0.94719648   2.77927835    20.26
 H    1.23950089   0.45174887   2.76128817     4.82
 H    2.87929600   1.94475628   1.46445047     3.05
 H    1.55107808   2.78134497   2.29455127     2.90
 H    4.18957752  -2.94677222  -0.44775372     2.40
 H    3.44804221  -1.31505803  -0.65340378     2.40
 H    3.45143572  -2.06639275   0.94426078     2.40
 H    0.63739043  -4.42729159  -1.14216549    16.76
 H   -2.79262765  -3.65918737  -1.69966893     2.05
 H   -3.81124311  -2.56474420  -0.70287496     2.05
 H   -3.15461745  -4.07634369  -0.01774943     2.05
 H   -2.87412303   0.36964354   0.49663492    11.34
 H   -2.39470765   3.88836051  -1.38957714     2.57
 H   -1.61125957   3.99872989  -3.01654074     2.57
 H   -2.03483854   2.40837754  -2.25681333     2.57
 H    1.51174034   3.94338899  -1.44753028    21.26
 H   -1.00527736   0.09513421   3.43728945     1.55
 H   -0.94613512   1.88074334   3.29327239     1.55
 H   -2.31678685   0.97439004   2.60618704     1.55
