data_Quer\1\R\GO
_audit_creation_date              2012-10-07
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P21/A'
_symmetry_Int_Tables_number       14
_symmetry_cell_setting            monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x+1/2,y+1/2,-z
  -x,-y,-z
  x+1/2,-y+1/2,z
_cell_length_a                    19.9881
_cell_length_b                    3.7114
_cell_length_c                    16.2617
_cell_angle_alpha                 90.0000
_cell_angle_beta                  85.1569
_cell_angle_gamma                 90.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
C7     C     0.11489   0.92379   0.00767   0.08748  Uiso   1.00
C6     C     0.17344   1.06985   0.03588   0.14855  Uiso   1.00
C5     C     0.17696   1.12702   0.11993   0.34041  Uiso   1.00
C10    C     0.12109   1.04143   0.17728   0.00000  Uiso   1.00
C9     C     0.06330   0.90320   0.14543   0.60412  Uiso   1.00
C8     C     0.05903   0.84106   0.06174   0.03023  Uiso   1.00
O1     O     0.00825   0.82160   0.19626   0.23160  Uiso   1.00
C2     C     0.00460   0.88736   0.27948   0.61458  Uiso   1.00
C3     C     0.06033   1.02085   0.31489   0.32256  Uiso   1.00
C4     C     0.12166   1.09368   0.26459   0.28383  Uiso   1.00
O7     O     0.11455   0.87045  -0.07505   0.37137  Uiso   1.00
O5     O     0.23271   1.26669   0.14791   0.07899  Uiso   1.00
O4     O     0.17381   1.21294   0.29707   0.16848  Uiso   1.00
O3     O     0.05688   1.09180   0.39638   0.08642  Uiso   1.00
C1'    C    -0.06186   0.80446   0.31766   0.04884  Uiso   1.00
C6'    C    -0.11591   0.79661   0.26737   0.56830  Uiso   1.00
C5'    C    -0.17989   0.71251   0.30071   0.52781  Uiso   1.00
C4'    C    -0.19170   0.62520   0.38404   0.26950  Uiso   1.00
C3'    C    -0.13770   0.62314   0.43451   0.18309  Uiso   1.00
C2'    C    -0.07370   0.71902   0.40185   0.99349  Uiso   1.00
O3'    O    -0.14642   0.52396   0.51564   0.36524  Uiso   1.00
O4'    O    -0.25405   0.53833   0.41928   0.33202  Uiso   1.00
H6     H     0.21546   1.13633  -0.00837   0.00000  Uiso   1.00
H8     H     0.01327   0.73112   0.03993   0.00000  Uiso   1.00
H7     H     0.07326   0.74899  -0.08706   0.00000  Uiso   1.00
H5     H     0.22362   1.27850   0.20973   0.00000  Uiso   1.00
H3     H     0.09748   1.22306   0.41110   0.00000  Uiso   1.00
H6'    H    -0.10868   0.86219   0.20219   0.00000  Uiso   1.00
H5'    H    -0.22162   0.71291   0.26182   0.00000  Uiso   1.00
H2'    H    -0.03282   0.71376   0.44185   0.00000  Uiso   1.00
H3'    H    -0.19032   0.40513   0.52843   0.00000  Uiso   1.00
H4'    H    -0.28344   0.45871   0.37573   0.00000  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
C7     C6      1.402   .     D
C7     C8      1.396   .     S
C7     O7      1.360   .     S
C6     C5      1.391   .     S
C6     H6      1.087   .     S
C5     C10     1.429   .     D
C5     O5      1.343   .     S
C10    C9      1.402   .     S
C10    C4      1.434   .     S
C9     C8      1.390   .     D
C9     O1      1.354   .     S
C8     H8      1.088   .     S
O1     C2      1.371   .     S
C2     C3      1.388   .     D
C2     C1'     1.451   .     S
C3     C4      1.441   .     S
C3     O3      1.347   .     S
C4     O4      1.286   .     D
O7     H7      0.975   .     S
O5     H5      1.007   .     S
O3     H3      0.993   .     S
C1'    C6'     1.409   .     S
C1'    C2'     1.406   .     D
C6'    C5'     1.382   .     D
C6'    H6'     1.085   .     S
C5'    C4'     1.394   .     S
C5'    H5'     1.088   .     S
C4'    C3'     1.410   .     D
C4'    O4'     1.366   .     S
C3'    C2'     1.389   .     S
C3'    O3'     1.367   .     S
C2'    H2'     1.087   .     S
O3'    H3'     0.988   .     S
O4'    H4'     1.002   .     S
