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     0.04669   0.70354   0.66327   0.00000  Uiso   1.00
O2     O     0.17483   0.95038   0.72087   0.00000  Uiso   1.00
O3     O     0.08732   0.73035   0.41723   0.00000  Uiso   1.00
O4     O     0.08600   0.60939   0.49717   0.00000  Uiso   1.00
C1     C     0.10647   0.81547   0.78927   0.00000  Uiso   1.00
O5     O     0.13852   0.73318   0.21572   0.00000  Uiso   1.00
O6     O     0.18017   0.39326   0.22826   0.00000  Uiso   1.00
C2     C     0.12582   0.60682   0.31691   0.00000  Uiso   1.00
C3     C     0.13490   0.52132   0.31845   0.00000  Uiso   1.00
H1     H     0.11976   0.48706   0.39052   0.00000  Uiso   1.00
C4     C     0.18337   0.51967   0.13758   0.00000  Uiso   1.00
H2     H     0.20741   0.48538   0.06669   0.00000  Uiso   1.00
C5     C     0.13960   0.90055   0.80416   0.00000  Uiso   1.00
C6     C     0.09814   0.65562   0.41064   0.00000  Uiso   1.00
N1     N     0.18842   0.81596   0.61340   0.00000  Uiso   1.00
C7     C     0.10667   0.77244   0.68603   0.00000  Uiso   1.00
C8     C     0.14498   0.64923   0.22426   0.00000  Uiso   1.00
C9     C     0.17337   0.60467   0.13503   0.00000  Uiso   1.00
H3     H     0.19095   0.63763   0.06228   0.00000  Uiso   1.00
C10    C     0.05933   0.80174   0.97230   0.00000  Uiso   1.00
H4     H     0.02415   0.76313   1.03725   0.00000  Uiso   1.00
C11    C     0.16219   1.03768   0.73234   0.00000  Uiso   1.00
H5     H     0.28224   1.05920   0.78643   0.00000  Uiso   1.00
H6     H     0.03270   1.05344   0.76724   0.00000  Uiso   1.00
C12    C     0.06632   0.76800   0.87430   0.00000  Uiso   1.00
H7     H     0.03821   0.70173   0.86617   0.00000  Uiso   1.00
C13    C     0.13691   0.93382   0.90400   0.00000  Uiso   1.00
H8     H     0.16719   0.99921   0.91982   0.00000  Uiso   1.00
C14    C     0.16481   0.47673   0.22994   0.00000  Uiso   1.00
C15    C     0.16280   1.08044   0.62734   0.00000  Uiso   1.00
H9     H     0.29584   1.06744   0.59460   0.00000  Uiso   1.00
H10    H     0.14768   1.14747   0.63465   0.00000  Uiso   1.00
H11    H     0.04562   1.05762   0.57226   0.00000  Uiso   1.00
C16    C     0.09641   0.88512   0.98725   0.00000  Uiso   1.00
H12    H     0.09271   0.91214   1.06506   0.00000  Uiso   1.00
H13    H     0.16462   0.79545   0.53949   0.00000  Uiso   1.00
H14    H     0.23455   0.87367   0.62844   0.00000  Uiso   1.00
H15    H     0.06765   0.64593   0.55469   0.00000  Uiso   1.00
H16    H     0.11862   0.36931   0.28313   0.00000  Uiso   1.00
H17    H     0.12885   0.75589   0.28329   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      1.222   .     D
O2     C5      1.390   .     S
O2     C11     1.429   .     S
O3     C6      1.220   .     D
O4     C6      1.356   .     S
O4     H15     0.970   .     S
C1     C5      1.412   .     A
C1     C7      1.504   .     S
C1     C12     1.396   .     A
O5     C8      1.368   .     S
O5     H17     0.956   .     S
O6     C14     1.360   .     S
O6     H16     0.955   .     S
C2     C3      1.390   .     A
C2     C6      1.477   .     S
C2     C8      1.399   .     A
C3     H1      1.099   .     S
C3     C14     1.388   .     A
C4     H2      1.100   .     S
C4     C9      1.383   .     A
C4     C14     1.400   .     A
C5     C13     1.399   .     A
N1     C7      1.355   .     S
N1     H13     1.007   .     S
N1     H14     1.005   .     S
C8     C9      1.393   .     A
C9     H3      1.100   .     S
C10    H4      1.097   .     S
C10    C12     1.384   .     A
C10    C16     1.389   .     A
C11    H5      1.101   .     S
C11    H6      1.100   .     S
C11    C15     1.523   .     S
C12    H7      1.098   .     S
C13    H8      1.098   .     S
C13    C16     1.389   .     A
C15    H9      1.100   .     S
C15    H10     1.099   .     S
C15    H11     1.100   .     S
C16    H12     1.099   .     S
