
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
#
#######################################################################
#
# If this CIF has been generated from an entry in the Cambridge 
# Structural Database, then it will include bibliographic, chemical, 
# crystal, experimental, refinement or atomic coordinate data resulting 
# from the CCDC's data processing and validation procedures.
#
#######################################################################

data_NITPOL03
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
_cell_length_a                   6.1664(1)
_cell_length_b                   8.8366(3)
_cell_length_c                   11.5435(4)
_cell_angle_alpha                90
_cell_angle_beta                 103.390(1)
_cell_angle_gamma                90
_cell_volume                     611.907
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.1175(2) -0.0236(1) 0.6812(1)
O2 O 0.9517(1) 0.2070(1) 1.0582(1)
O3 O 0.7090(2) 0.3739(1) 1.0862(1)
N1 N 0.7603(1) 0.2588(1) 1.0353(1)
C1 C 0.2669(1) 0.0476(1) 0.7694(1)
C2 C 0.2093(1) 0.1732(1) 0.8316(1)
C3 C 0.3705(1) 0.2422(1) 0.9203(1)
C4 C 0.5886(1) 0.1853(1) 0.9455(1)
C5 C 0.6480(1) 0.0587(1) 0.8863(1)
C6 C 0.4854(2) -0.0106(1) 0.7986(1)
H1 H -0.0080 0.0416 0.6525
H2 H 0.0397 0.2158 0.8103
H3 H 0.3280 0.3385 0.9691
H4 H 0.8173 0.0156 0.9086
H5 H 0.5271 -0.1096 0.7525
O1 O 0.1175(2) -0.0236(1) 1.6812(1)
O2 O 0.9517(1) 0.2070(1) 2.0582(1)
O3 O 0.7090(2) 0.3739(1) 2.0862(1)
N1 N 0.7603(1) 0.2588(1) 2.0353(1)
C1 C 0.2669(1) 0.0476(1) 1.7694(1)
C2 C 0.2093(1) 0.1732(1) 1.8316(1)
C3 C 0.3705(1) 0.2422(1) 1.9203(1)
C4 C 0.5886(1) 0.1853(1) 1.9455(1)
C5 C 0.6480(1) 0.0587(1) 1.8863(1)
C6 C 0.4854(2) -0.0106(1) 1.7986(1)
H1 H -0.0080 0.0416 1.6525
H2 H 0.0397 0.2158 1.8103
H3 H 0.3280 0.3385 1.9691
H4 H 0.8173 0.0156 1.9086
H5 H 0.5271 -0.1096 1.7525
O1 O 0.1175(2) 0.9764(1) 0.6812(1)
O2 O 0.9517(1) 1.2070(1) 1.0582(1)
O3 O 0.7090(2) 1.3739(1) 1.0862(1)
N1 N 0.7603(1) 1.2588(1) 1.0353(1)
C1 C 0.2669(1) 1.0476(1) 0.7694(1)
C2 C 0.2093(1) 1.1732(1) 0.8316(1)
C3 C 0.3705(1) 1.2422(1) 0.9203(1)
C4 C 0.5886(1) 1.1853(1) 0.9455(1)
C5 C 0.6480(1) 1.0587(1) 0.8863(1)
C6 C 0.4854(2) 0.9894(1) 0.7986(1)
H1 H -0.0080 1.0416 0.6525
H2 H 0.0397 1.2158 0.8103
H3 H 0.3280 1.3385 0.9691
H4 H 0.8173 1.0156 0.9086
H5 H 0.5271 0.8904 0.7525
O1 O 0.1175(2) 0.9764(1) 1.6812(1)
O2 O 0.9517(1) 1.2070(1) 2.0582(1)
O3 O 0.7090(2) 1.3739(1) 2.0862(1)
N1 N 0.7603(1) 1.2588(1) 2.0353(1)
C1 C 0.2669(1) 1.0476(1) 1.7694(1)
C2 C 0.2093(1) 1.1732(1) 1.8316(1)
C3 C 0.3705(1) 1.2422(1) 1.9203(1)
C4 C 0.5886(1) 1.1853(1) 1.9455(1)
C5 C 0.6480(1) 1.0587(1) 1.8863(1)
C6 C 0.4854(2) 0.9894(1) 1.7986(1)
H1 H -0.0080 1.0416 1.6525
H2 H 0.0397 1.2158 1.8103
H3 H 0.3280 1.3385 1.9691
H4 H 0.8173 1.0156 1.9086
H5 H 0.5271 0.8904 1.7525
O1 O 1.1175(2) -0.0236(1) 0.6812(1)
O2 O 1.9517(1) 0.2070(1) 1.0582(1)
O3 O 1.7090(2) 0.3739(1) 1.0862(1)
N1 N 1.7603(1) 0.2588(1) 1.0353(1)
C1 C 1.2669(1) 0.0476(1) 0.7694(1)
C2 C 1.2093(1) 0.1732(1) 0.8316(1)
C3 C 1.3705(1) 0.2422(1) 0.9203(1)
C4 C 1.5886(1) 0.1853(1) 0.9455(1)
C5 C 1.6480(1) 0.0587(1) 0.8863(1)
C6 C 1.4854(2) -0.0106(1) 0.7986(1)
H1 H 0.9920 0.0416 0.6525
H2 H 1.0397 0.2158 0.8103
H3 H 1.3280 0.3385 0.9691
H4 H 1.8173 0.0156 0.9086
H5 H 1.5271 -0.1096 0.7525
O1 O 1.1175(2) -0.0236(1) 1.6812(1)
O2 O 1.9517(1) 0.2070(1) 2.0582(1)
O3 O 1.7090(2) 0.3739(1) 2.0862(1)
N1 N 1.7603(1) 0.2588(1) 2.0353(1)
C1 C 1.2669(1) 0.0476(1) 1.7694(1)
C2 C 1.2093(1) 0.1732(1) 1.8316(1)
C3 C 1.3705(1) 0.2422(1) 1.9203(1)
C4 C 1.5886(1) 0.1853(1) 1.9455(1)
C5 C 1.6480(1) 0.0587(1) 1.8863(1)
C6 C 1.4854(2) -0.0106(1) 1.7986(1)
H1 H 0.9920 0.0416 1.6525
H2 H 1.0397 0.2158 1.8103
H3 H 1.3280 0.3385 1.9691
H4 H 1.8173 0.0156 1.9086
H5 H 1.5271 -0.1096 1.7525
O1 O 1.1175(2) 0.9764(1) 0.6812(1)
O2 O 1.9517(1) 1.2070(1) 1.0582(1)
O3 O 1.7090(2) 1.3739(1) 1.0862(1)
N1 N 1.7603(1) 1.2588(1) 1.0353(1)
C1 C 1.2669(1) 1.0476(1) 0.7694(1)
C2 C 1.2093(1) 1.1732(1) 0.8316(1)
C3 C 1.3705(1) 1.2422(1) 0.9203(1)
C4 C 1.5886(1) 1.1853(1) 0.9455(1)
C5 C 1.6480(1) 1.0587(1) 0.8863(1)
C6 C 1.4854(2) 0.9894(1) 0.7986(1)
H1 H 0.9920 1.0416 0.6525
H2 H 1.0397 1.2158 0.8103
H3 H 1.3280 1.3385 0.9691
H4 H 1.8173 1.0156 0.9086
H5 H 1.5271 0.8904 0.7525
O1 O 1.1175(2) 0.9764(1) 1.6812(1)
O2 O 1.9517(1) 1.2070(1) 2.0582(1)
O3 O 1.7090(2) 1.3739(1) 2.0862(1)
N1 N 1.7603(1) 1.2588(1) 2.0353(1)
C1 C 1.2669(1) 1.0476(1) 1.7694(1)
C2 C 1.2093(1) 1.1732(1) 1.8316(1)
C3 C 1.3705(1) 1.2422(1) 1.9203(1)
C4 C 1.5886(1) 1.1853(1) 1.9455(1)
C5 C 1.6480(1) 1.0587(1) 1.8863(1)
C6 C 1.4854(2) 0.9894(1) 1.7986(1)
H1 H 0.9920 1.0416 1.6525
H2 H 1.0397 1.2158 1.8103
H3 H 1.3280 1.3385 1.9691
H4 H 1.8173 1.0156 1.9086
H5 H 1.5271 0.8904 1.7525
O1 O 0.8825(2) 0.4764(1) 0.8188(1)
O2 O 0.0483(1) 0.7070(1) 0.4418(1)
O3 O 0.2910(2) 0.8739(1) 0.4138(1)
N1 N 0.2397(1) 0.7588(1) 0.4647(1)
C1 C 0.7331(1) 0.5476(1) 0.7306(1)
C2 C 0.7907(1) 0.6732(1) 0.6684(1)
C3 C 0.6295(1) 0.7422(1) 0.5797(1)
C4 C 0.4114(1) 0.6853(1) 0.5545(1)
C5 C 0.3520(1) 0.5587(1) 0.6137(1)
C6 C 0.5146(2) 0.4894(1) 0.7014(1)
H1 H 1.0080 0.5416 0.8475
H2 H 0.9603 0.7158 0.6897
H3 H 0.6720 0.8385 0.5309
H4 H 0.1827 0.5156 0.5914
H5 H 0.4729 0.3904 0.7475
O1 O 0.8825(2) 0.4764(1) 1.8188(1)
O2 O 0.0483(1) 0.7070(1) 1.4418(1)
O3 O 0.2910(2) 0.8739(1) 1.4138(1)
N1 N 0.2397(1) 0.7588(1) 1.4647(1)
C1 C 0.7331(1) 0.5476(1) 1.7306(1)
C2 C 0.7907(1) 0.6732(1) 1.6684(1)
C3 C 0.6295(1) 0.7422(1) 1.5797(1)
C4 C 0.4114(1) 0.6853(1) 1.5545(1)
C5 C 0.3520(1) 0.5587(1) 1.6137(1)
C6 C 0.5146(2) 0.4894(1) 1.7014(1)
H1 H 1.0080 0.5416 1.8475
H2 H 0.9603 0.7158 1.6897
H3 H 0.6720 0.8385 1.5309
H4 H 0.1827 0.5156 1.5914
H5 H 0.4729 0.3904 1.7475
O1 O 0.8825(2) 1.4764(1) 0.8188(1)
O2 O 0.0483(1) 1.7070(1) 0.4418(1)
O3 O 0.2910(2) 1.8739(1) 0.4138(1)
N1 N 0.2397(1) 1.7588(1) 0.4647(1)
C1 C 0.7331(1) 1.5476(1) 0.7306(1)
C2 C 0.7907(1) 1.6732(1) 0.6684(1)
C3 C 0.6295(1) 1.7422(1) 0.5797(1)
C4 C 0.4114(1) 1.6853(1) 0.5545(1)
C5 C 0.3520(1) 1.5587(1) 0.6137(1)
C6 C 0.5146(2) 1.4894(1) 0.7014(1)
H1 H 1.0080 1.5416 0.8475
H2 H 0.9603 1.7158 0.6897
H3 H 0.6720 1.8385 0.5309
H4 H 0.1827 1.5156 0.5914
H5 H 0.4729 1.3904 0.7475
O1 O 0.8825(2) 1.4764(1) 1.8188(1)
O2 O 0.0483(1) 1.7070(1) 1.4418(1)
O3 O 0.2910(2) 1.8739(1) 1.4138(1)
N1 N 0.2397(1) 1.7588(1) 1.4647(1)
C1 C 0.7331(1) 1.5476(1) 1.7306(1)
C2 C 0.7907(1) 1.6732(1) 1.6684(1)
C3 C 0.6295(1) 1.7422(1) 1.5797(1)
C4 C 0.4114(1) 1.6853(1) 1.5545(1)
C5 C 0.3520(1) 1.5587(1) 1.6137(1)
C6 C 0.5146(2) 1.4894(1) 1.7014(1)
H1 H 1.0080 1.5416 1.8475
H2 H 0.9603 1.7158 1.6897
H3 H 0.6720 1.8385 1.5309
H4 H 0.1827 1.5156 1.5914
H5 H 0.4729 1.3904 1.7475
O1 O 1.8825(2) 0.4764(1) 0.8188(1)
O2 O 1.0483(1) 0.7070(1) 0.4418(1)
O3 O 1.2910(2) 0.8739(1) 0.4138(1)
N1 N 1.2397(1) 0.7588(1) 0.4647(1)
C1 C 1.7331(1) 0.5476(1) 0.7306(1)
C2 C 1.7907(1) 0.6732(1) 0.6684(1)
C3 C 1.6295(1) 0.7422(1) 0.5797(1)
C4 C 1.4114(1) 0.6853(1) 0.5545(1)
C5 C 1.3520(1) 0.5587(1) 0.6137(1)
C6 C 1.5146(2) 0.4894(1) 0.7014(1)
H1 H 2.0080 0.5416 0.8475
H2 H 1.9603 0.7158 0.6897
H3 H 1.6720 0.8385 0.5309
H4 H 1.1827 0.5156 0.5914
H5 H 1.4729 0.3904 0.7475
O1 O 1.8825(2) 0.4764(1) 1.8188(1)
O2 O 1.0483(1) 0.7070(1) 1.4418(1)
O3 O 1.2910(2) 0.8739(1) 1.4138(1)
N1 N 1.2397(1) 0.7588(1) 1.4647(1)
C1 C 1.7331(1) 0.5476(1) 1.7306(1)
C2 C 1.7907(1) 0.6732(1) 1.6684(1)
C3 C 1.6295(1) 0.7422(1) 1.5797(1)
C4 C 1.4114(1) 0.6853(1) 1.5545(1)
C5 C 1.3520(1) 0.5587(1) 1.6137(1)
C6 C 1.5146(2) 0.4894(1) 1.7014(1)
H1 H 2.0080 0.5416 1.8475
H2 H 1.9603 0.7158 1.6897
H3 H 1.6720 0.8385 1.5309
H4 H 1.1827 0.5156 1.5914
H5 H 1.4729 0.3904 1.7475
O1 O 1.8825(2) 1.4764(1) 0.8188(1)
O2 O 1.0483(1) 1.7070(1) 0.4418(1)
O3 O 1.2910(2) 1.8739(1) 0.4138(1)
N1 N 1.2397(1) 1.7588(1) 0.4647(1)
C1 C 1.7331(1) 1.5476(1) 0.7306(1)
C2 C 1.7907(1) 1.6732(1) 0.6684(1)
C3 C 1.6295(1) 1.7422(1) 0.5797(1)
C4 C 1.4114(1) 1.6853(1) 0.5545(1)
C5 C 1.3520(1) 1.5587(1) 0.6137(1)
C6 C 1.5146(2) 1.4894(1) 0.7014(1)
H1 H 2.0080 1.5416 0.8475
H2 H 1.9603 1.7158 0.6897
H3 H 1.6720 1.8385 0.5309
H4 H 1.1827 1.5156 0.5914
H5 H 1.4729 1.3904 0.7475
O1 O 1.8825(2) 1.4764(1) 1.8188(1)
O2 O 1.0483(1) 1.7070(1) 1.4418(1)
O3 O 1.2910(2) 1.8739(1) 1.4138(1)
N1 N 1.2397(1) 1.7588(1) 1.4647(1)
C1 C 1.7331(1) 1.5476(1) 1.7306(1)
C2 C 1.7907(1) 1.6732(1) 1.6684(1)
C3 C 1.6295(1) 1.7422(1) 1.5797(1)
C4 C 1.4114(1) 1.6853(1) 1.5545(1)
C5 C 1.3520(1) 1.5587(1) 1.6137(1)
C6 C 1.5146(2) 1.4894(1) 1.7014(1)
H1 H 2.0080 1.5416 1.8475
H2 H 1.9603 1.7158 1.6897
H3 H 1.6720 1.8385 1.5309
H4 H 1.1827 1.5156 1.5914
H5 H 1.4729 1.3904 1.7475
O1 O 0.8825(2) 1.0236(1) 0.3188(1)
O2 O 0.0483(1) 0.7930(1) -0.0582(1)
O3 O 0.2910(2) 0.6261(1) -0.0862(1)
N1 N 0.2397(1) 0.7412(1) -0.0353(1)
C1 C 0.7331(1) 0.9524(1) 0.2306(1)
C2 C 0.7907(1) 0.8268(1) 0.1684(1)
C3 C 0.6295(1) 0.7578(1) 0.0797(1)
C4 C 0.4114(1) 0.8147(1) 0.0545(1)
C5 C 0.3520(1) 0.9413(1) 0.1137(1)
C6 C 0.5146(2) 1.0106(1) 0.2014(1)
H1 H 1.0080 0.9584 0.3475
H2 H 0.9603 0.7842 0.1897
H3 H 0.6720 0.6615 0.0309
H4 H 0.1827 0.9844 0.0914
H5 H 0.4729 1.1096 0.2475
O1 O 0.8825(2) 1.0236(1) 1.3188(1)
O2 O 0.0483(1) 0.7930(1) 0.9418(1)
O3 O 0.2910(2) 0.6261(1) 0.9138(1)
N1 N 0.2397(1) 0.7412(1) 0.9647(1)
C1 C 0.7331(1) 0.9524(1) 1.2306(1)
C2 C 0.7907(1) 0.8268(1) 1.1684(1)
C3 C 0.6295(1) 0.7578(1) 1.0797(1)
C4 C 0.4114(1) 0.8147(1) 1.0545(1)
C5 C 0.3520(1) 0.9413(1) 1.1137(1)
C6 C 0.5146(2) 1.0106(1) 1.2014(1)
H1 H 1.0080 0.9584 1.3475
H2 H 0.9603 0.7842 1.1897
H3 H 0.6720 0.6615 1.0309
H4 H 0.1827 0.9844 1.0914
H5 H 0.4729 1.1096 1.2475
O1 O 0.8825(2) 2.0236(1) 0.3188(1)
O2 O 0.0483(1) 1.7930(1) -0.0582(1)
O3 O 0.2910(2) 1.6261(1) -0.0862(1)
N1 N 0.2397(1) 1.7412(1) -0.0353(1)
C1 C 0.7331(1) 1.9524(1) 0.2306(1)
C2 C 0.7907(1) 1.8268(1) 0.1684(1)
C3 C 0.6295(1) 1.7578(1) 0.0797(1)
C4 C 0.4114(1) 1.8147(1) 0.0545(1)
C5 C 0.3520(1) 1.9413(1) 0.1137(1)
C6 C 0.5146(2) 2.0106(1) 0.2014(1)
H1 H 1.0080 1.9584 0.3475
H2 H 0.9603 1.7842 0.1897
H3 H 0.6720 1.6615 0.0309
H4 H 0.1827 1.9844 0.0914
H5 H 0.4729 2.1096 0.2475
O1 O 0.8825(2) 2.0236(1) 1.3188(1)
O2 O 0.0483(1) 1.7930(1) 0.9418(1)
O3 O 0.2910(2) 1.6261(1) 0.9138(1)
N1 N 0.2397(1) 1.7412(1) 0.9647(1)
C1 C 0.7331(1) 1.9524(1) 1.2306(1)
C2 C 0.7907(1) 1.8268(1) 1.1684(1)
C3 C 0.6295(1) 1.7578(1) 1.0797(1)
C4 C 0.4114(1) 1.8147(1) 1.0545(1)
C5 C 0.3520(1) 1.9413(1) 1.1137(1)
C6 C 0.5146(2) 2.0106(1) 1.2014(1)
H1 H 1.0080 1.9584 1.3475
H2 H 0.9603 1.7842 1.1897
H3 H 0.6720 1.6615 1.0309
H4 H 0.1827 1.9844 1.0914
H5 H 0.4729 2.1096 1.2475
O1 O 1.8825(2) 1.0236(1) 0.3188(1)
O2 O 1.0483(1) 0.7930(1) -0.0582(1)
O3 O 1.2910(2) 0.6261(1) -0.0862(1)
N1 N 1.2397(1) 0.7412(1) -0.0353(1)
C1 C 1.7331(1) 0.9524(1) 0.2306(1)
C2 C 1.7907(1) 0.8268(1) 0.1684(1)
C3 C 1.6295(1) 0.7578(1) 0.0797(1)
C4 C 1.4114(1) 0.8147(1) 0.0545(1)
C5 C 1.3520(1) 0.9413(1) 0.1137(1)
C6 C 1.5146(2) 1.0106(1) 0.2014(1)
H1 H 2.0080 0.9584 0.3475
H2 H 1.9603 0.7842 0.1897
H3 H 1.6720 0.6615 0.0309
H4 H 1.1827 0.9844 0.0914
H5 H 1.4729 1.1096 0.2475
O1 O 1.8825(2) 1.0236(1) 1.3188(1)
O2 O 1.0483(1) 0.7930(1) 0.9418(1)
O3 O 1.2910(2) 0.6261(1) 0.9138(1)
N1 N 1.2397(1) 0.7412(1) 0.9647(1)
C1 C 1.7331(1) 0.9524(1) 1.2306(1)
C2 C 1.7907(1) 0.8268(1) 1.1684(1)
C3 C 1.6295(1) 0.7578(1) 1.0797(1)
C4 C 1.4114(1) 0.8147(1) 1.0545(1)
C5 C 1.3520(1) 0.9413(1) 1.1137(1)
C6 C 1.5146(2) 1.0106(1) 1.2014(1)
H1 H 2.0080 0.9584 1.3475
H2 H 1.9603 0.7842 1.1897
H3 H 1.6720 0.6615 1.0309
H4 H 1.1827 0.9844 1.0914
H5 H 1.4729 1.1096 1.2475
O1 O 1.8825(2) 2.0236(1) 0.3188(1)
O2 O 1.0483(1) 1.7930(1) -0.0582(1)
O3 O 1.2910(2) 1.6261(1) -0.0862(1)
N1 N 1.2397(1) 1.7412(1) -0.0353(1)
C1 C 1.7331(1) 1.9524(1) 0.2306(1)
C2 C 1.7907(1) 1.8268(1) 0.1684(1)
C3 C 1.6295(1) 1.7578(1) 0.0797(1)
C4 C 1.4114(1) 1.8147(1) 0.0545(1)
C5 C 1.3520(1) 1.9413(1) 0.1137(1)
C6 C 1.5146(2) 2.0106(1) 0.2014(1)
H1 H 2.0080 1.9584 0.3475
H2 H 1.9603 1.7842 0.1897
H3 H 1.6720 1.6615 0.0309
H4 H 1.1827 1.9844 0.0914
H5 H 1.4729 2.1096 0.2475
O1 O 1.8825(2) 2.0236(1) 1.3188(1)
O2 O 1.0483(1) 1.7930(1) 0.9418(1)
O3 O 1.2910(2) 1.6261(1) 0.9138(1)
N1 N 1.2397(1) 1.7412(1) 0.9647(1)
C1 C 1.7331(1) 1.9524(1) 1.2306(1)
C2 C 1.7907(1) 1.8268(1) 1.1684(1)
C3 C 1.6295(1) 1.7578(1) 1.0797(1)
C4 C 1.4114(1) 1.8147(1) 1.0545(1)
C5 C 1.3520(1) 1.9413(1) 1.1137(1)
C6 C 1.5146(2) 2.0106(1) 1.2014(1)
H1 H 2.0080 1.9584 1.3475
H2 H 1.9603 1.7842 1.1897
H3 H 1.6720 1.6615 1.0309
H4 H 1.1827 1.9844 1.0914
H5 H 1.4729 2.1096 1.2475
O1 O 0.1175(2) 0.5236(1) 0.1812(1)
O2 O 0.9517(1) 0.2930(1) 0.5582(1)
O3 O 0.7090(2) 0.1261(1) 0.5862(1)
N1 N 0.7603(1) 0.2412(1) 0.5353(1)
C1 C 0.2669(1) 0.4524(1) 0.2694(1)
C2 C 0.2093(1) 0.3268(1) 0.3316(1)
C3 C 0.3705(1) 0.2578(1) 0.4203(1)
C4 C 0.5886(1) 0.3147(1) 0.4455(1)
C5 C 0.6480(1) 0.4413(1) 0.3863(1)
C6 C 0.4854(2) 0.5106(1) 0.2986(1)
H1 H -0.0080 0.4584 0.1525
H2 H 0.0397 0.2842 0.3103
H3 H 0.3280 0.1615 0.4691
H4 H 0.8173 0.4844 0.4086
H5 H 0.5271 0.6096 0.2525
O1 O 0.1175(2) 0.5236(1) 1.1812(1)
O2 O 0.9517(1) 0.2930(1) 1.5582(1)
O3 O 0.7090(2) 0.1261(1) 1.5862(1)
N1 N 0.7603(1) 0.2412(1) 1.5353(1)
C1 C 0.2669(1) 0.4524(1) 1.2694(1)
C2 C 0.2093(1) 0.3268(1) 1.3316(1)
C3 C 0.3705(1) 0.2578(1) 1.4203(1)
C4 C 0.5886(1) 0.3147(1) 1.4455(1)
C5 C 0.6480(1) 0.4413(1) 1.3863(1)
C6 C 0.4854(2) 0.5106(1) 1.2986(1)
H1 H -0.0080 0.4584 1.1525
H2 H 0.0397 0.2842 1.3103
H3 H 0.3280 0.1615 1.4691
H4 H 0.8173 0.4844 1.4086
H5 H 0.5271 0.6096 1.2525
O1 O 0.1175(2) 1.5236(1) 0.1812(1)
O2 O 0.9517(1) 1.2930(1) 0.5582(1)
O3 O 0.7090(2) 1.1261(1) 0.5862(1)
N1 N 0.7603(1) 1.2412(1) 0.5353(1)
C1 C 0.2669(1) 1.4524(1) 0.2694(1)
C2 C 0.2093(1) 1.3268(1) 0.3316(1)
C3 C 0.3705(1) 1.2578(1) 0.4203(1)
C4 C 0.5886(1) 1.3147(1) 0.4455(1)
C5 C 0.6480(1) 1.4413(1) 0.3863(1)
C6 C 0.4854(2) 1.5106(1) 0.2986(1)
H1 H -0.0080 1.4584 0.1525
H2 H 0.0397 1.2842 0.3103
H3 H 0.3280 1.1615 0.4691
H4 H 0.8173 1.4844 0.4086
H5 H 0.5271 1.6096 0.2525
O1 O 0.1175(2) 1.5236(1) 1.1812(1)
O2 O 0.9517(1) 1.2930(1) 1.5582(1)
O3 O 0.7090(2) 1.1261(1) 1.5862(1)
N1 N 0.7603(1) 1.2412(1) 1.5353(1)
C1 C 0.2669(1) 1.4524(1) 1.2694(1)
C2 C 0.2093(1) 1.3268(1) 1.3316(1)
C3 C 0.3705(1) 1.2578(1) 1.4203(1)
C4 C 0.5886(1) 1.3147(1) 1.4455(1)
C5 C 0.6480(1) 1.4413(1) 1.3863(1)
C6 C 0.4854(2) 1.5106(1) 1.2986(1)
H1 H -0.0080 1.4584 1.1525
H2 H 0.0397 1.2842 1.3103
H3 H 0.3280 1.1615 1.4691
H4 H 0.8173 1.4844 1.4086
H5 H 0.5271 1.6096 1.2525
O1 O 1.1175(2) 0.5236(1) 0.1812(1)
O2 O 1.9517(1) 0.2930(1) 0.5582(1)
O3 O 1.7090(2) 0.1261(1) 0.5862(1)
N1 N 1.7603(1) 0.2412(1) 0.5353(1)
C1 C 1.2669(1) 0.4524(1) 0.2694(1)
C2 C 1.2093(1) 0.3268(1) 0.3316(1)
C3 C 1.3705(1) 0.2578(1) 0.4203(1)
C4 C 1.5886(1) 0.3147(1) 0.4455(1)
C5 C 1.6480(1) 0.4413(1) 0.3863(1)
C6 C 1.4854(2) 0.5106(1) 0.2986(1)
H1 H 0.9920 0.4584 0.1525
H2 H 1.0397 0.2842 0.3103
H3 H 1.3280 0.1615 0.4691
H4 H 1.8173 0.4844 0.4086
H5 H 1.5271 0.6096 0.2525
O1 O 1.1175(2) 0.5236(1) 1.1812(1)
O2 O 1.9517(1) 0.2930(1) 1.5582(1)
O3 O 1.7090(2) 0.1261(1) 1.5862(1)
N1 N 1.7603(1) 0.2412(1) 1.5353(1)
C1 C 1.2669(1) 0.4524(1) 1.2694(1)
C2 C 1.2093(1) 0.3268(1) 1.3316(1)
C3 C 1.3705(1) 0.2578(1) 1.4203(1)
C4 C 1.5886(1) 0.3147(1) 1.4455(1)
C5 C 1.6480(1) 0.4413(1) 1.3863(1)
C6 C 1.4854(2) 0.5106(1) 1.2986(1)
H1 H 0.9920 0.4584 1.1525
H2 H 1.0397 0.2842 1.3103
H3 H 1.3280 0.1615 1.4691
H4 H 1.8173 0.4844 1.4086
H5 H 1.5271 0.6096 1.2525
O1 O 1.1175(2) 1.5236(1) 0.1812(1)
O2 O 1.9517(1) 1.2930(1) 0.5582(1)
O3 O 1.7090(2) 1.1261(1) 0.5862(1)
N1 N 1.7603(1) 1.2412(1) 0.5353(1)
C1 C 1.2669(1) 1.4524(1) 0.2694(1)
C2 C 1.2093(1) 1.3268(1) 0.3316(1)
C3 C 1.3705(1) 1.2578(1) 0.4203(1)
C4 C 1.5886(1) 1.3147(1) 0.4455(1)
C5 C 1.6480(1) 1.4413(1) 0.3863(1)
C6 C 1.4854(2) 1.5106(1) 0.2986(1)
H1 H 0.9920 1.4584 0.1525
H2 H 1.0397 1.2842 0.3103
H3 H 1.3280 1.1615 0.4691
H4 H 1.8173 1.4844 0.4086
H5 H 1.5271 1.6096 0.2525
O1 O 1.1175(2) 1.5236(1) 1.1812(1)
O2 O 1.9517(1) 1.2930(1) 1.5582(1)
O3 O 1.7090(2) 1.1261(1) 1.5862(1)
N1 N 1.7603(1) 1.2412(1) 1.5353(1)
C1 C 1.2669(1) 1.4524(1) 1.2694(1)
C2 C 1.2093(1) 1.3268(1) 1.3316(1)
C3 C 1.3705(1) 1.2578(1) 1.4203(1)
C4 C 1.5886(1) 1.3147(1) 1.4455(1)
C5 C 1.6480(1) 1.4413(1) 1.3863(1)
C6 C 1.4854(2) 1.5106(1) 1.2986(1)
H1 H 0.9920 1.4584 1.1525
H2 H 1.0397 1.2842 1.3103
H3 H 1.3280 1.1615 1.4691
H4 H 1.8173 1.4844 1.4086
H5 H 1.5271 1.6096 1.2525

#END
