44
E = -941.312475034
H         -4.56069        0.70979        0.52131
O         -4.40388        1.64792        0.73379
C         -3.22632        2.04503        0.03977
C         -2.01273        1.20011        0.45950
H         -3.35320        1.98948       -1.05550
H         -3.05545        3.09870        0.29999
C         -2.21072       -0.26782        0.12407
C         -0.73566        1.68808       -0.21074
H         -1.88262        1.28741        1.54903
C         -2.37458       -1.21852        1.13894
C         -2.23532       -0.69413       -1.21315
O          0.34224        1.21093        0.44989
O         -0.68885        2.37178       -1.21666
H         -2.35298       -0.89450        2.18160
C         -2.55344       -2.56854        0.82836
H         -2.10139        0.03791       -2.01306
C         -2.41015       -2.04252       -1.52416
C          1.65518        1.45505       -0.16381
H         -2.67612       -3.29756        1.63110
C         -2.56829       -2.98429       -0.50387
H         -2.41861       -2.36070       -2.56805
H          1.62564        2.47967       -0.56130
C          2.68895        1.33237        0.95912
C          1.89627        0.46271       -1.31144
H         -2.70149       -4.03937       -0.74773
H          3.56548        1.94042        0.68344
H          2.27721        1.77786        1.87726
C          3.14540       -0.12084        1.20690
H          2.62154        0.92047       -2.00371
H          0.96785        0.33806       -1.88738
C          2.44085       -0.89831       -0.83477
H          3.93026       -0.12515        1.98030
N          3.66014       -0.74368       -0.02335
C          1.97900       -1.07017        1.55149
H          2.65881       -1.52632       -1.71358
C          1.50911       -1.60443        0.16965
C          4.80934       -0.12928       -0.65370
H          1.17732       -0.55714        2.09663
H          2.34656       -1.89217        2.17940
H          0.45000       -1.39862       -0.02658
H          1.65709       -2.69030        0.10624
H          5.10749       -0.73258       -1.52442
H          4.66805        0.91507       -1.00611
H          5.65083       -0.12665        0.05552
