data_Quer\1\R
_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     0.12552   0.92033  -0.01041   0.08748  Uiso   1.00
C6     C     0.18018   1.08775   0.02149   0.14855  Uiso   1.00
C5     C     0.18122   1.14148   0.10598   0.34041  Uiso   1.00
C10    C     0.12745   1.02603   0.15948   0.00000  Uiso   1.00
C9     C     0.07343   0.85366   0.12775   0.60412  Uiso   1.00
C8     C     0.07230   0.80308   0.04329   0.03023  Uiso   1.00
O1     O     0.02021   0.71606   0.17874   0.23160  Uiso   1.00
C2     C     0.01013   0.84159   0.25869   0.61458  Uiso   1.00
C3     C     0.06084   1.00067   0.29698   0.32256  Uiso   1.00
C4     C     0.12548   1.09017   0.25001   0.28383  Uiso   1.00
O7     O     0.12699   0.87748  -0.09377   0.37137  Uiso   1.00
O5     O     0.23662   1.31244   0.13180   0.07899  Uiso   1.00
O4     O     0.17432   1.21771   0.27986   0.16848  Uiso   1.00
O3     O     0.05233   1.08008   0.37986   0.08642  Uiso   1.00
C1'    C    -0.05848   0.77089   0.30178   0.04884  Uiso   1.00
C6'    C    -0.11400   0.74412   0.25497   0.56830  Uiso   1.00
C5'    C    -0.17762   0.68249   0.29272   0.52781  Uiso   1.00
C4'    C    -0.18818   0.64870   0.37810   0.26950  Uiso   1.00
C3'    C    -0.13271   0.68043   0.42626   0.18309  Uiso   1.00
C2'    C    -0.06904   0.74204   0.38757   0.99349  Uiso   1.00
O3'    O    -0.13935   0.65296   0.51066   0.36524  Uiso   1.00
O4'    O    -0.25069   0.58735   0.41698   0.33202  Uiso   1.00
H6     H     0.22270   1.18055  -0.02084   0.00000  Uiso   1.00
H8     H     0.02907   0.66679   0.01921   0.00000  Uiso   1.00
H7     H     0.08591   0.77420  -0.10698   0.00000  Uiso   1.00
H5     H     0.23083   1.33230   0.19070   0.00000  Uiso   1.00
H3     H     0.06992   0.89166   0.41132   0.00000  Uiso   1.00
H6'    H    -0.10800   0.76931   0.18732   0.00000  Uiso   1.00
H5'    H    -0.22010   0.66073   0.25406   0.00000  Uiso   1.00
H2'    H    -0.02748   0.77183   0.42735   0.00000  Uiso   1.00
H3'    H    -0.18591   0.61334   0.52518   0.00000  Uiso   1.00
H4'    H    -0.28183   0.57602   0.37614   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      1.395   .     D
C7     C8      1.388   .     S
C7     O7      1.363   .     S
C6     C5      1.390   .     S
C6     H6      1.103   .     S
C5     C10     1.392   .     D
C5     O5      1.372   .     S
C10    C9      1.391   .     S
C10    C4      1.489   .     S
C9     C8      1.388   .     D
C9     O1      1.390   .     S
C8     H8      1.101   .     S
O1     C2      1.380   .     S
C2     C3      1.367   .     D
C2     C1'     1.509   .     S
C3     C4      1.482   .     S
C3     O3      1.376   .     S
C4     O4      1.222   .     D
O7     H7      0.947   .     S
O5     H5      0.958   .     S
O3     H3      0.951   .     S
C1'    C6'     1.401   .     S
C1'    C2'     1.397   .     D
C6'    C5'     1.384   .     D
C6'    H6'     1.101   .     S
C5'    C4'     1.392   .     S
C5'    H5'     1.101   .     S
C4'    C3'     1.415   .     D
C4'    O4'     1.371   .     S
C3'    C2'     1.390   .     S
C3'    O3'     1.371   .     S
C2'    H2'     1.101   .     S
O3'    H3'     0.952   .     S
O4'    H4'     0.949   .     S
