cell_initmol
2
cell_hmatrix
  9.37986151  0.  0.
  0.  9.37986151  0.
  0.  0.  6.70875529
cell_coordinates
  0.  0.  0. (C)
  1.14089998  0.570661962  0.862555818 (C)
  1.50675497  -0.46432982  1.80844506 (O) 
  2.74291358  -0.14443185  2.52632642 (N) 
  2.00577618  0.836708019  0.24604017 (H)
  0.803153652  1.45435401  1.41657434 (H)
  2.99885353  -0.9785684  3.39730267 (O) 
  3.35060725  0.872323006  2.18887767 (O)
  -0.57066461 1.14089998  -0.8625577 (C) 
  0.464327171  1.50675497  -1.808447 (O) 
  0.144429217  2.74291358  -2.5263283 (N)
  -1.4543566  0.803153652  -1.4165762 (H)
  -0.83671065 2.00577618  -0.24604205 (H)
  0.978565758  2.99885353  -3.3973045 (O)
  -0.87232565  3.35060725  -2.1888796 (O)
  -1.1409026  -0.57066461  0.862555818 (C)
  -1.5067576  0.464327171  1.80844506 (O)
  -2.7429162  0.144429217  2.52632642 (N)
  -2.0057788  -0.83671065  0.24604017 (H)
  -0.8031563  -1.4543566  1.41657434 (H)
  -2.9988562  0.978565758  3.39730267 (O)
  -2.9988562  -0.87232565  2.18887767 (O)
  0.570661962  -1.1409026  -0.8625577 (C)
  -0.46432982 -1.5067576  -1.808447 (O)
  -0.14443155  -2.7429162  -2.5263283 (N)
  1.45435401  -0.8031563  -1.4165762 (H)
  0.836708019 -2.0057788  -0.24604205 (H)
  -0.9785684  -2.9988562  -3.3973045 (O)
  0.872323006  -3.3506099  -2.1888796 (O)
  4.68992943  4.68992943  3.3543767 (C)
  3.54902946  5.26059139  2.49182089 (C)
  3.18317446  4.22560226  1.54593163 (O)
  1.94701585  4.54550022  0.82805029 (N)
  2.68415326  5.52663745  3.10833654 (H)
  3.88677578  6.14428344  1.93780237 (H)
  1.6910759  3.71136367  -0.04292785 (O)
  1.33932218  5.56225245  1.16549903 (O)
  5.83082941  4.11926747  2.49182089 (C)
  6.1966844  5.1542566  1.54593163 (O)
  7.43284301  4.83435865  0.82805029 (N)
  6.69570561  3.85322141  3.10833654 (H)
  5.49308308  3.23557542  1.93780237 (H)
  7.68878297  5.66849519  -0.04292785 (O)
  8.04053668  3.81760643  1.16549903 (O)
  4.11926747  3.54902946  4.21693252 (C)
  5.1542566  3.18317446  5.16282177 (O)
  4.83435865  1.94701585  5.88070312 (N)
  3.85322141  2.68415326  3.60041687 (H)
  3.23557542  3.88677578  4.77095103 (H)
  5.66849519  1.6910759   6.7516813 (O)
  3.81760643  1.33932218  5.54325437 (O)
  5.26059139  5.83082941  4.21693252 (C)
  4.22560226  6.1966844  5.16282177 (O)
  4.54550022  7.43284301  5.88070312 (N)
  5.52663745  6.69570561  3.60041687 (H)
  6.14428344  5.49308308  4.77095103 (H)
  3.71136367  7.68878297  6.7516813 (O)
  5.56225245  8.04053668  5.54325437 (O)
