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data_exp_330
_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                   14.1565(2)
_cell_length_b                   8.31073(11)
_cell_length_c                   16.8189(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.4970(15)
_cell_angle_gamma                90
_cell_volume                     1939.05
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
P20 P 0.43391(2) 0.14324(4) 0.36611(2)
O21 O 0.50639(8) 0.18638(12) 0.30987(6)
O24 O 0.33087(8) 0.19950(13) 0.32081(7)
C17 C 0.63382(9) 0.36230(16) 0.47966(8)
O28 O 0.62419(8) 0.47788(12) 0.43292(6)
O27 O 0.43813(7) -0.02626(12) 0.39260(6)
N18 N 0.56037(8) 0.26829(14) 0.49142(7)
H18 H 0.5698(12) 0.1935(19) 0.5285(10)
C14 C 0.86951(9) 0.14981(16) 0.57883(8)
C11 C 1.06374(11) -0.1631(2) 0.61875(10)
H11 H 1.1267 -0.1776 0.6503
C19 C 0.46326(9) 0.29126(16) 0.44532(8)
H19A H 0.4575 0.4002 0.4211
H19B H 0.4169 0.2831 0.4821
C22 C 0.53563(12) 0.0685(2) 0.25529(10)
H22A H 0.4865 0.0614 0.2045
H22B H 0.5424 -0.0390 0.2812
C15 C 1.05748(11) 0.1134(2) 0.67385(9)
H15 H 1.1207 0.1018 0.7053
C23 C 0.62971(12) 0.1214(2) 0.23715(11)
H23A H 0.6521 0.0418 0.2021
H23B H 0.6773 0.1315 0.2879
H23C H 0.6216 0.2257 0.2095
C8 C 0.87637(10) -0.12601(17) 0.52557(9)
C3 C 0.77721(10) 0.44742(17) 0.57935(9)
H3 H 0.7468 0.5495 0.5783
C4 C 0.73076(9) 0.32248(16) 0.53099(8)
C6 C 0.73325(10) 0.03854(16) 0.48003(8)
H6 H 0.6706 0.0501 0.4474
C25 C 0.25161(11) 0.0880(2) 0.29607(9)
H25A H 0.1909 0.1385 0.3041
H25B H 0.2627 -0.0098 0.3303
C5 C 0.77560(9) 0.17177(16) 0.53003(8)
C1 C 0.91441(10) 0.27664(18) 0.62921(8)
C13 C 0.92001(10) 0.00177(17) 0.57630(8)
C7 C 0.78113(11) -0.10263(17) 0.47869(9)
H7 H 0.7507 -0.1882 0.4458
C12 C 1.01466(10) -0.01773(19) 0.62346(9)
C2 C 0.86673(11) 0.42417(18) 0.62856(9)
H2 H 0.8962 0.5093 0.6623
C16 C 1.00939(10) 0.2523(2) 0.67716(9)
H16 H 1.0389 0.3360 0.7119
C9 C 0.92849(11) -0.26814(18) 0.52236(10)
H9 H 0.9002 -0.3537 0.4883
C26 C 0.24226(13) 0.0420(2) 0.20898(11)
H26A H 0.2330 0.1390 0.1752
H26B H 0.1867 -0.0297 0.1930
H26C H 0.3010 -0.0136 0.2016
C10 C 1.02077(12) -0.2859(2) 0.56820(10)
H10 H 1.0550 -0.3832 0.5650

#END
