CELL   5.2679   7.06520   8.0236   87.67   81.96   74.39
O1    8   0.363    0.248    0.817
O2    8  0.8577   0.5332   0.4323
O3    8    0.9098   0.458    0.1598
O4    8     1.3695   0.1876   0.1772
O5    8    0.9595   0.0521   0.3638
O6    8     1.5377   -0.0178   0.5666
O7    8     1.4327   -0.2037   0.3837
N1    7    0.1846   0.8153    1.0793
C3    6    0.3212   0.5848   0.8602
C2    6    0.3599   0.6561    1.0055
C6    6    -0.0301   0.9105    1.0102
C5    6    -0.0769   0.8474   0.8627
C4    6    0.0994   0.6832   0.7867
C7    6    0.504    0.3932   0.7879
C8    6    0.9793   0.4329   0.2959
C9    6     1.2267   0.2735   0.3303
C10   6      1.1412   0.1158   0.4445
C11   6      1.3901   -0.0503   0.4684
HN1   1     0.215    0.870     1.184
HO1   1     0.41     0.182    0.724
H2    1    0.485    0.610     1.057
HO2   1     0.94     0.56     0.519
HO4   1      1.299    0.221    0.084
H6    1    -0.144     1.019     1.074
H5    1    -0.25     0.904    0.790
HO5   1     0.868    0.025    0.410
H4    1   0.06     0.636    0.689
H9    1     1.331    0.338    0.39
H10   1      1.05     0.175    0.565
H71   1     0.537    0.413    0.653
H72   1     0.666    0.356    0.848
RGNR   1