64
Impureté_A_ampac_water.log	Energy: -1608745.1561292
C          2.96323       -1.73065       -0.61092
C          2.66271       -1.12007        0.60755
C          1.49717       -0.38252        0.78745
C          0.58759       -0.26676       -0.28753
C          0.86782       -0.91961       -1.49053
C          2.05527       -1.64213       -1.68447
C         -0.68843        0.51807       -0.22918
C         -0.61575        1.93973       -0.23198
C          0.55371        2.61296       -0.69525
C          0.63255        3.98299       -0.76189
H          1.52717        4.45030       -1.15631
C         -0.45274        4.78917       -0.31232
C         -1.60556        4.13340        0.21466
C         -1.68297        2.76538        0.24399
H          3.33693       -1.24121        1.44766
H          0.16666       -0.86515       -2.31707
H         -2.41679        4.73447        0.61590
H         -2.55002        2.30048        0.69896
O          2.24428       -2.21870       -2.88840
H          3.05142       -2.79139       -2.82324
S          4.54791       -2.55666       -0.78952
O          4.82925       -3.24754        0.50554
O          4.36608       -3.49169       -1.94723
O          5.57108       -1.49317       -1.04561
Na         6.79816       -1.92532        0.95306
N         -0.40767        6.13461       -0.35520
C          0.71579        6.93731       -0.83729
H          1.60809        6.71165       -0.23920
H          0.93995        6.65962       -1.87508
C          0.38531        8.42361       -0.75063
H          0.18168        8.72309        0.28325
H          1.23286        9.01177       -1.11363
H         -0.48803        8.67022       -1.36416
S          1.20727        0.34108        2.42719
O          1.59898        1.77467        2.32130
O          2.08937       -0.44022        3.34082
O         -0.24637        0.13106        2.68333
C         -1.90857       -0.21877       -0.29036
C         -1.97335       -1.56585        0.17280
C         -3.10992        0.31012       -0.84806
C         -3.13326       -2.29909        0.13767
H         -1.09151       -2.00826        0.62206
C         -4.27034       -0.42178       -0.91624
H         -3.09880        1.29684       -1.29692
C         -4.33815       -1.76100       -0.41757
H         -3.12160       -3.29684        0.55536
H         -5.13267        0.02987       -1.38814
H         -1.21649        6.63822       -0.01266
N         -5.48004       -2.49300       -0.49446
C         -5.53086       -3.89065       -0.03071
H         -6.32399       -4.38396       -0.59788
H         -4.59969       -4.38869       -0.31293
C         -5.79295       -4.04579        1.47152
H         -5.79402       -5.10928        1.73426
H         -5.02208       -3.54719        2.06763
H         -6.76476       -3.62640        1.74923
C         -6.73682       -1.90322       -0.99012
H         -6.53134       -1.35351       -1.91392
H         -7.38666       -2.73534       -1.26898
C         -7.45434       -1.00398        0.02307
H         -7.73896       -1.56579        0.91781
H         -6.82656       -0.16282        0.33276
H         -8.36558       -0.59962       -0.43095
H          1.39167        2.02495       -1.05252
