data_Quer\3\R\GO
_audit_creation_date              2012-10-08
_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                    19.9705
_cell_length_b                    3.7092
_cell_length_c                    16.2410
_cell_angle_alpha                 90.0000
_cell_angle_beta                  85.1590
_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
C2     C     0.50856  -2.09942   0.27588   0.00000  Uiso   1.00
C3     C     0.56385  -1.96933   0.31316   0.00054  Uiso   1.00
C4     C     0.62535  -1.89681   0.26420   0.00019  Uiso   1.00
C5     C     0.68424  -1.87687   0.12246   0.00001  Uiso   1.00
C6     C     0.68364  -1.94775   0.03912   0.00000  Uiso   1.00
C7     C     0.62646  -2.09937   0.00782   0.00338  Uiso   1.00
C8     C     0.56807  -2.16136   0.05904   0.00000  Uiso   1.00
C9     C     0.56951  -2.08631   0.14259   0.00020  Uiso   1.00
C10    C     0.62660  -1.95090   0.17715   0.00000  Uiso   1.00
C1'    C     0.44185  -2.18255   0.31356   0.00014  Uiso   1.00
C6'    C     0.38832  -2.19379   0.26257   0.00002  Uiso   1.00
C5'    C     0.32404  -2.27384   0.29559   0.00001  Uiso   1.00
C4'    C     0.31124  -2.35315   0.37930   0.00095  Uiso   1.00
C3'    C     0.36476  -2.35300   0.43024   0.08667  Uiso   1.00
C2'    C     0.42907  -2.26227   0.39810   0.00003  Uiso   1.00
O5     O     0.73967  -1.73526   0.15379   0.06148  Uiso   1.00
O7     O     0.62685  -2.19128  -0.07293   0.06797  Uiso   1.00
O3     O     0.55892  -1.90527   0.39521   0.09815  Uiso   1.00
O3'    O     0.35443  -2.44723   0.51203   0.03303  Uiso   1.00
O1     O     0.51320  -2.16001   0.19245   0.00051  Uiso   1.00
O4     O     0.67794  -1.77775   0.29759   0.04595  Uiso   1.00
O4'    O     0.24871  -2.43444   0.41517   0.21972  Uiso   1.00
H6     H     0.72731  -1.88551  -0.00288   0.00000  Uiso   1.00
H8     H     0.52339  -2.27486   0.03536   0.00000  Uiso   1.00
H6'    H     0.39737  -2.13470   0.19706   0.00000  Uiso   1.00
H5'    H     0.28258  -2.27687   0.25629   0.00000  Uiso   1.00
H2'    H     0.46952  -2.26528   0.43878   0.00000  Uiso   1.00
H3     H     0.59921  -1.77724   0.41323   0.00000  Uiso   1.00
H7     H     0.67317  -2.18030  -0.10044   0.00000  Uiso   1.00
H5     H     0.72705  -1.72065   0.21651   0.00000  Uiso   1.00
H4'    H     0.21896  -2.52398   0.37236   0.00000  Uiso   1.00
H3'    H     0.30954  -2.55769   0.52449   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
C2     C3      1.390   .     D
C2     C1'     1.451   .     S
C2     O1      1.369   .     S
C3     C4      1.431   .     S
C3     O3      1.349   .     S
C4     C10     1.426   .     S
C4     O4      1.299   .     D
C5     C6      1.380   .     S
C5     C10     1.420   .     D
C5     O5      1.362   .     S
C6     C7      1.406   .     D
C6     H6      1.086   .     S
C7     C8      1.393   .     S
C7     O7      1.354   .     S
C8     C9      1.388   .     D
C8     H8      1.086   .     S
C9     C10     1.405   .     S
C9     O1      1.357   .     S
C1'    C6'     1.407   .     D
C1'    C2'     1.407   .     S
C6'    C5'     1.381   .     S
C6'    H6'     1.086   .     S
C5'    C4'     1.393   .     D
C5'    H5'     1.087   .     S
C4'    C3'     1.406   .     S
C4'    O4'     1.366   .     S
C3'    C2'     1.387   .     D
C3'    O3'     1.372   .     S
C2'    H2'     1.086   .     S
O5     H5      1.030   .     S
O7     H7      0.994   .     S
O3     H3      0.999   .     S
O3'    H3'     0.991   .     S
O4'    H4'     1.008   .     S
