data_Quer\2\R\GO
_audit_creation_date              2012-10-11
_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                    19.9907
_cell_length_b                    3.7115
_cell_length_c                    16.2502
_cell_angle_alpha                 90.0000
_cell_angle_beta                  85.1361
_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     0.12595   0.87059   0.00816   0.11383  Uiso   1.00
C6     C     0.18377   1.01827   0.03896   0.06275  Uiso   1.00
C5     C     0.18465   1.09488   0.12215   0.23877  Uiso   1.00
C10    C     0.12678   1.02954   0.17724   0.00698  Uiso   1.00
C9     C     0.06921   0.89654   0.14321   0.31457  Uiso   1.00
C8     C     0.06741   0.81670   0.05981   0.18191  Uiso   1.00
O1     O     0.01276   0.83097   0.19308   0.10188  Uiso   1.00
C2     C     0.00839   0.89510   0.27616   0.46820  Uiso   1.00
C3     C     0.06387   1.02341   0.31330   0.12989  Uiso   1.00
C4     C     0.12571   1.09066   0.26422   0.17868  Uiso   1.00
O7     O     0.12583   0.77566  -0.07217   0.30643  Uiso   1.00
O5     O     0.24045   1.23365   0.15269   0.05798  Uiso   1.00
O4     O     0.17810   1.20932   0.29712   0.19201  Uiso   1.00
O3     O     0.05896   1.09047   0.39505   0.12533  Uiso   1.00
C1'    C    -0.05848   0.81749   0.31419   0.23674  Uiso   1.00
C6'    C    -0.11218   0.81178   0.26335   0.09686  Uiso   1.00
C5'    C    -0.17660   0.73479   0.29669   0.50927  Uiso   1.00
C4'    C    -0.18923   0.65196   0.38034   0.25791  Uiso   1.00
C3'    C    -0.13553   0.64755   0.43114   0.06787  Uiso   1.00
C2'    C    -0.07109   0.73633   0.39875   0.58820  Uiso   1.00
O3'    O    -0.14570   0.55116   0.51257   0.35785  Uiso   1.00
O4'    O    -0.25167   0.57143   0.41613   0.13766  Uiso   1.00
H6     H     0.22761   1.07393  -0.00329   0.00000  Uiso   1.00
H8     H     0.02218   0.70732   0.03676   0.00000  Uiso   1.00
H7     H     0.17186   0.78458  -0.09959   0.53248  Uiso   1.00
H5     H     0.22809   1.25623   0.21484   0.00000  Uiso   1.00
H3     H     0.09929   1.21700   0.41227   0.00007  Uiso   1.00
H6'    H    -0.10318   0.87245   0.19789   3.76885  Uiso   1.00
H5'    H    -0.21826   0.73662   0.25774   0.13988  Uiso   1.00
H2'    H    -0.03053   0.72971   0.43921   0.00315  Uiso   1.00
H3'    H    -0.19057   0.44366   0.52484   0.00000  Uiso   1.00
H4'    H    -0.28116   0.48475   0.37324   0.38619  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      1.409   .     D
C7     C8      1.395   .     S
C7     O7      1.352   .     S
C6     C5      1.383   .     S
C6     H6      1.086   .     S
C5     C10     1.422   .     D
C5     O5      1.360   .     S
C10    C9      1.408   .     S
C10    C4      1.430   .     S
C9     C8      1.391   .     D
C9     O1      1.354   .     S
C8     H8      1.086   .     S
O1     C2      1.366   .     S
C2     C3      1.391   .     D
C2     C1'     1.453   .     S
C3     C4      1.435   .     S
C3     O3      1.347   .     S
C4     O4      1.293   .     D
O7     H7      0.988   .     S
O5     H5      1.023   .     S
O3     H3      0.993   .     S
C1'    C6'     1.409   .     S
C1'    C2'     1.408   .     D
C6'    C5'     1.384   .     D
C6'    H6'     1.087   .     S
C5'    C4'     1.396   .     S
C5'    H5'     1.088   .     S
C4'    C3'     1.409   .     D
C4'    O4'     1.365   .     S
C3'    C2'     1.389   .     S
C3'    O3'     1.369   .     S
C2'    H2'     1.087   .     S
O3'    H3'     0.986   .     S
O4'    H4'     1.003   .     S
