44
E = -941.299291250
H         -0.52855        2.91599       -0.16262
O         -1.40180        3.25905       -0.43484
C         -2.20795        2.13405       -0.73527
C         -2.08310        0.97733        0.30167
H         -1.99480        1.73364       -1.74618
H         -3.25172        2.47905       -0.72802
C         -3.22871        0.00598        0.16628
C         -0.71069        0.32535        0.16127
H         -2.12393        1.45454        1.29354
C         -3.40403       -0.77271       -0.98706
C         -4.17955       -0.08792        1.19064
O          0.24359        1.19741        0.60719
O         -0.47633       -0.76816       -0.30883
H         -2.66377       -0.73093       -1.78577
C         -4.50507       -1.62097       -1.10804
H         -4.05334        0.51471        2.09355
C         -5.28071       -0.93739        1.07221
C          1.66587        0.84327        0.50185
H         -4.62543       -2.22293       -2.01050
C         -5.44696       -1.70680       -0.08037
H         -6.00862       -0.99842        1.88309
H          2.14826        1.73193        0.92458
C          2.02864       -0.34926        1.39095
C          2.11997        0.71361       -0.95494
H         -6.30586       -2.37303       -0.17686
H          1.95624       -0.03054        2.44093
H          1.31407       -1.16695        1.24079
C          3.46457       -0.83249        1.06517
H          2.09993        1.71318       -1.41411
H          1.42430        0.07620       -1.51362
C          3.54861        0.11554       -1.01381
H          4.00687       -1.04521        1.99664
N          4.15865        0.24778        0.32829
C          3.46980       -2.05343        0.10068
H          4.15468        0.66619       -1.74623
C          3.53243       -1.41211       -1.30540
C          5.60792        0.09256        0.31581
H          2.58257       -2.68428        0.24115
H          4.34936       -2.68571        0.28512
H          2.68307       -1.69510       -1.94063
H          4.44713       -1.71180       -1.83546
H          6.05358        0.90724       -0.27264
H          5.96684       -0.86922       -0.10658
H          5.98865        0.17292        1.34397
