data_QULLUF02
_symmetry_space_group_name_H-M    'P21/N'
_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+1/2
  -x,-y,-z
  x+1/2,-y+1/2,z+1/2
_cell_length_a                    7.1283
_cell_length_b                    16.2420
_cell_length_c                    12.9040
_cell_angle_alpha                 90.0000
_cell_angle_beta                  96.2500
_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
O1     O    -0.08086   0.68016   0.62114   0.00000  Uiso   1.00
O2     O     0.27808   0.99598   0.72877   0.00000  Uiso   1.00
O3     O     0.41135   0.85389   0.38231   0.00000  Uiso   1.00
O4     O     0.21854   0.67708   0.51749   0.00000  Uiso   1.00
C1     C     0.18178   0.85666   0.75723   0.00000  Uiso   1.00
O5     O     0.08536   0.77527   0.20930   0.00000  Uiso   1.00
O6     O     0.26160   0.44135   0.26890   0.00000  Uiso   1.00
C2     C     0.11301   0.65784   0.32828   0.00000  Uiso   1.00
C3     C     0.20652   0.57293   0.34736   0.00000  Uiso   1.00
H1     H     0.14820   0.54319   0.41339   0.00000  Uiso   1.00
C4     C     0.23458   0.55845   0.15553   0.00000  Uiso   1.00
H2     H     0.19808   0.51874   0.08720   0.00000  Uiso   1.00
C5     C     0.16289   0.94732   0.78815   0.00000  Uiso   1.00
C6     C     0.14810   0.71597   0.42266   0.00000  Uiso   1.00
N1     N     0.22402   0.85830   0.57428   0.00000  Uiso   1.00
C7     C     0.08428   0.84627   0.64666   0.00000  Uiso   1.00
C8     C     0.17930   0.69896   0.23147   0.00000  Uiso   1.00
C9     C     0.14014   0.64256   0.13642   0.00000  Uiso   1.00
H3     H     0.19339   0.67171   0.06859   0.00000  Uiso   1.00
C10    C     0.14347   0.81622   0.94334   0.00000  Uiso   1.00
H4     H     0.06215   0.77648   0.99096   0.00000  Uiso   1.00
C11    C     0.22675   1.08067   0.72541   0.00000  Uiso   1.00
H5     H     0.35630   1.11670   0.74468   0.00000  Uiso   1.00
H6     H     0.13254   1.09550   0.78508   0.00000  Uiso   1.00
C12    C     0.08233   0.79953   0.82815   0.00000  Uiso   1.00
H7     H     0.11579   0.73566   0.81000   0.00000  Uiso   1.00
C13    C     0.22454   0.95973   0.90461   0.00000  Uiso   1.00
H8     H     0.20559   1.02456   0.92543   0.00000  Uiso   1.00
C14    C     0.16686   0.51770   0.25126   0.00000  Uiso   1.00
C15    C     0.13403   1.10201   0.61707   0.00000  Uiso   1.00
H9     H     0.22881   1.08378   0.55942   0.00000  Uiso   1.00
H10    H     0.10437   1.16809   0.60817   0.00000  Uiso   1.00
H11    H     0.00170   1.06726   0.60068   0.00000  Uiso   1.00
C16    C     0.10091   0.90595   0.96613   0.00000  Uiso   1.00
H12    H     0.13091   0.91826   1.04974   0.00000  Uiso   1.00
H13    H     0.15929   0.86538   0.50205   0.00000  Uiso   1.00
H14    H     0.28997   0.91201   0.59240   0.00000  Uiso   1.00
H15    H     0.25518   0.71966   0.56720   0.00000  Uiso   1.00
H16    H     0.22210   0.41772   0.33049   0.00000  Uiso   1.00
H17    H     0.12734   0.81525   0.26076   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
O1     C7      2.948   .     S
O2     C5      1.422   .     S
O2     C11     1.423   .     S
O3     C6      3.004   .     S
O4     C6      1.419   .     S
O4     H15     0.960   .     S
C1     C5      1.535   .     S
C1     C7      1.527   .     S
C1     C12     1.530   .     S
O5     C8      1.423   .     S
O5     H17     0.953   .     S
O6     C14     1.418   .     S
O6     H16     0.952   .     S
C2     C3      1.540   .     S
C2     C6      1.540   .     S
C2     C8      1.536   .     S
C3     H1      1.100   .     S
C3     C14     1.532   .     S
C4     H2      1.100   .     S
C4     C9      1.531   .     S
C4     C14     1.525   .     S
C5     C13     1.532   .     S
N1     C7      1.451   .     S
N1     H13     1.001   .     S
N1     H14     1.006   .     S
C8     C9      1.532   .     S
C9     H3      1.098   .     S
C10    H4      1.099   .     S
C10    C12     1.527   .     S
C10    C16     1.524   .     S
C11    H5      1.099   .     S
C11    H6      1.102   .     S
C11    C15     1.520   .     S
C12    H7      1.096   .     S
C13    H8      1.099   .     S
C13    C16     1.524   .     S
C15    H9      1.099   .     S
C15    H10     1.098   .     S
C15    H11     1.100   .     S
C16    H12     1.095   .     S
