data_Quer2\R
_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                    19.9907
_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     0.12108   0.88582  -0.00686   0.11383  Uiso   1.00
C6     C     0.17976   1.03795   0.01953   0.06275  Uiso   1.00
C5     C     0.18362   1.11069   0.10293   0.23877  Uiso   1.00
C10    C     0.12797   1.03485   0.16144   0.00698  Uiso   1.00
C9     C     0.07003   0.88989   0.13134   0.31457  Uiso   1.00
C8     C     0.06543   0.81224   0.04835   0.18191  Uiso   1.00
O1     O     0.01518   0.81684   0.18329   0.10188  Uiso   1.00
C2     C     0.01186   0.89789   0.26583   0.46820  Uiso   1.00
C3     C     0.06775   1.03875   0.29955   0.12989  Uiso   1.00
C4     C     0.12889   1.10323   0.24817   0.17868  Uiso   1.00
O7     O     0.12041   0.81721  -0.08899   0.30643  Uiso   1.00
O5     O     0.23950   1.25634   0.12917   0.05798  Uiso   1.00
O4     O     0.18119   1.22926   0.27912   0.19201  Uiso   1.00
O3     O     0.06463   1.12466   0.38031   0.12533  Uiso   1.00
C1'    C    -0.05445   0.82101   0.30523   0.23674  Uiso   1.00
C6'    C    -0.10800   0.78141   0.25488   0.09686  Uiso   1.00
C5'    C    -0.17180   0.70161   0.28950   0.50927  Uiso   1.00
C4'    C    -0.18389   0.64995   0.37442   0.25791  Uiso   1.00
C3'    C    -0.13035   0.67977   0.42517   0.06787  Uiso   1.00
C2'    C    -0.06658   0.77159   0.39096   0.58820  Uiso   1.00
O3'    O    -0.13927   0.61585   0.50818   0.35785  Uiso   1.00
O4'    O    -0.24606   0.56852   0.41101   0.13766  Uiso   1.00
H6     H     0.22161   1.09687  -0.02562   0.00000  Uiso   1.00
H8     H     0.01956   0.69760   0.02792   0.00000  Uiso   1.00
H7     H     0.16115   0.91093  -0.11861   0.53248  Uiso   1.00
H10    H     0.23066   1.27943   0.19089   0.00000  Uiso   1.00
H3     H     0.10531   1.25919   0.39348   0.00007  Uiso   1.00
H6'    H    -0.10054   0.81877   0.18852   3.76885  Uiso   1.00
H5'    H    -0.21317   0.67743   0.25042   0.13988  Uiso   1.00
H2'    H    -0.02604   0.79128   0.43124   0.00315  Uiso   1.00
H3'    H    -0.09580   0.58218   0.53193   0.00000  Uiso   1.00
H4'    H    -0.24823   0.62617   0.47142   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      1.401   .     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      1.353   .     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      0.974   .     S
O5     H10     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'     1.365   .     S
C3'    C2'     1.389   .     S
C3'    O3'     1.366   .     S
C2'    H2'     1.087   .     S
O3'    H3'     0.988   .     S
O4'    H4'     1.002   .     S
