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data_FABVAF01
_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                   12.2234(1)
_cell_length_b                   14.7900(1)
_cell_length_c                   9.4691(1)
_cell_angle_alpha                90
_cell_angle_beta                 93.9754(3)
_cell_angle_gamma                90
_cell_volume                     1707.74
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C 0.61664 0.33257 0.05807
C2 C 0.54246 0.39378 0.11144
C3 C 0.5812 0.47095 0.18454
C4 C 0.6941 0.48692 0.20428
C5 C 0.76828 0.42571 0.15091
C6 C 0.72954 0.34854 0.07781
H1 H 0.46182 0.38237 0.09735
H2 H 0.84892 0.43712 0.16501
H3 H 0.78252 0.30482 0.03969
O1 O 0.50861 0.53084 0.23677
C7 C 0.39496 0.51007 0.22998
H4 H 0.3832 0.4531 0.28377
H5 H 0.35413 0.56074 0.27248
H6 H 0.36739 0.50174 0.1289
O2 O 0.73201 0.56244 0.27581
H7 H 0.67902 0.60615 0.31393
C8 C 0.57403 0.24768 -0.02234
N1 N 0.45934 0.26088 -0.07173
H8 H 0.61861 0.23697 -0.10541
H9 H 0.5803 0.19415 0.04226
H10 H 0.44219 0.29399 -0.1499
C9 C 0.37642 0.22468 -0.00346
O3 O 0.38951 0.19069 0.11625
C10 C 0.26073 0.22358 -0.07063
C11 C 0.18029 0.25055 0.04027
H11 H 0.25449 0.26749 -0.15112
H12 H 0.2425 0.16144 -0.10669
C12 C 0.18359 0.35379 0.06159
H13 H 0.10433 0.23173 0.00667
H14 H 0.20179 0.21986 0.13215
C13 C 0.07703 0.38515 0.12431
H15 H 0.24776 0.37011 0.12794
H16 H 0.19075 0.38424 -0.03162
C14 C 0.09207 0.47769 0.18196
H17 H 0.01584 0.38511 0.04852
H18 H 0.05876 0.34305 0.20192
C15 C 0.04502 0.50108 0.29542
H19 H 0.13843 0.52222 0.13365
H20 H -0.00134 0.45655 0.34374
C16 C 0.06006 0.59362 0.35308
C17 C 0.14996 0.59279 0.47534
C18 C 0.09427 0.65754 0.23551
H21 H -0.01035 0.61528 0.38905
H22 H 0.22042 0.57118 0.43945
H23 H 0.16013 0.65532 0.5143
H24 H 0.1278 0.55133 0.55177
H25 H 0.03591 0.65815 0.15609
H26 H 0.10443 0.72007 0.27446
H27 H 0.1647 0.63596 0.19951
C1 C 0.61664 0.16743 0.55807
C2 C 0.54246 0.10622 0.61144
C3 C 0.5812 0.02905 0.68454
C4 C 0.6941 0.01308 0.70428
C5 C 0.76828 0.07429 0.65091
C6 C 0.72954 0.15146 0.57781
H1 H 0.46182 0.11763 0.59735
H2 H 0.84892 0.06288 0.66501
H3 H 0.78252 0.19518 0.53969
O1 O 0.50861 -0.03084 0.73677
C7 C 0.39496 -0.01007 0.72998
H4 H 0.3832 0.0469 0.78377
H5 H 0.35413 -0.06074 0.77248
H6 H 0.36739 -0.00174 0.6289
O2 O 0.73201 -0.06244 0.77581
H7 H 0.67902 -0.10615 0.81393
C8 C 0.57403 0.25232 0.47766
N1 N 0.45934 0.23912 0.42827
H8 H 0.61861 0.26303 0.39459
H9 H 0.5803 0.30585 0.54226
H10 H 0.44219 0.20601 0.3501
C9 C 0.37642 0.27532 0.49654
O3 O 0.38951 0.30931 0.61625
C10 C 0.26073 0.27642 0.42937
C11 C 0.18029 0.24945 0.54027
H11 H 0.25449 0.23251 0.34888
H12 H 0.2425 0.33856 0.39331
C12 C 0.18359 0.14621 0.56159
H13 H 0.10433 0.26827 0.50667
H14 H 0.20179 0.28014 0.63215
C13 C 0.07703 0.11485 0.62431
H15 H 0.24776 0.12989 0.62794
H16 H 0.19075 0.11576 0.46838
C14 C 0.09207 0.02231 0.68196
H17 H 0.01584 0.11489 0.54852
H18 H 0.05876 0.15695 0.70192
C15 C 0.04502 -0.00108 0.79542
H19 H 0.13843 -0.02222 0.63365
H20 H -0.00134 0.04345 0.84374
C16 C 0.06006 -0.09362 0.85308
C17 C 0.14996 -0.09279 0.97534
C18 C 0.09427 -0.15754 0.73551
H21 H -0.01035 -0.11528 0.88905
H22 H 0.22042 -0.07118 0.93945
H23 H 0.16013 -0.15532 1.0143
H24 H 0.1278 -0.05133 1.05177
H25 H 0.03591 -0.15815 0.65609
H26 H 0.10443 -0.22007 0.77446
H27 H 0.1647 -0.13596 0.69951
C1 C 0.38336 0.66743 0.94193
C2 C 0.45754 0.60622 0.88856
C3 C 0.4188 0.52905 0.81546
C4 C 0.3059 0.51308 0.79572
C5 C 0.23172 0.57429 0.84909
C6 C 0.27046 0.65146 0.92219
H1 H 0.53818 0.61763 0.90265
H2 H 0.15108 0.56288 0.83499
H3 H 0.21748 0.69518 0.96031
O1 O 0.49139 0.46916 0.76323
C7 C 0.60504 0.48993 0.77002
H4 H 0.6168 0.5469 0.71623
H5 H 0.64587 0.43926 0.72752
H6 H 0.63261 0.49826 0.8711
O2 O 0.26799 0.43756 0.72419
H7 H 0.32098 0.39385 0.68607
C8 C 0.42597 0.75232 1.02234
N1 N 0.54066 0.73912 1.07173
H8 H 0.38139 0.76303 1.10541
H9 H 0.4197 0.80585 0.95774
H10 H 0.55781 0.70601 1.1499
C9 C 0.62358 0.77532 1.00346
O3 O 0.61049 0.80931 0.88375
C10 C 0.73927 0.77642 1.07063
C11 C 0.81971 0.74945 0.95973
H11 H 0.74551 0.73251 1.15112
H12 H 0.7575 0.83856 1.10669
C12 C 0.81641 0.64621 0.93841
H13 H 0.89567 0.76827 0.99333
H14 H 0.79821 0.78014 0.86785
C13 C 0.92297 0.61485 0.87569
H15 H 0.75224 0.62989 0.87206
H16 H 0.80925 0.61576 1.03162
C14 C 0.90793 0.52231 0.81804
H17 H 0.98416 0.61489 0.95148
H18 H 0.94124 0.65695 0.79808
C15 C 0.95498 0.49892 0.70458
H19 H 0.86157 0.47778 0.86635
H20 H 1.00134 0.54345 0.65626
C16 C 0.93994 0.40638 0.64692
C17 C 0.85004 0.40721 0.52466
C18 C 0.90573 0.34246 0.76449
H21 H 1.01035 0.38472 0.61095
H22 H 0.77958 0.42882 0.56055
H23 H 0.83987 0.34468 0.4857
H24 H 0.8722 0.44867 0.44823
H25 H 0.96409 0.34185 0.84391
H26 H 0.89557 0.27993 0.72554
H27 H 0.8353 0.36404 0.80049
C1 C 0.38336 0.83257 0.44193
C2 C 0.45754 0.89378 0.38856
C3 C 0.4188 0.97095 0.31546
C4 C 0.3059 0.98692 0.29572
C5 C 0.23172 0.92571 0.34909
C6 C 0.27046 0.84854 0.42219
H1 H 0.53818 0.88237 0.40265
H2 H 0.15108 0.93712 0.33499
H3 H 0.21748 0.80482 0.46031
O1 O 0.49139 1.03084 0.26323
C7 C 0.60504 1.01007 0.27002
H4 H 0.6168 0.9531 0.21623
H5 H 0.64587 1.06074 0.22752
H6 H 0.63261 1.00174 0.3711
O2 O 0.26799 1.06244 0.22419
H7 H 0.32098 1.10615 0.18607
C8 C 0.42597 0.74768 0.52234
N1 N 0.54066 0.76088 0.57173
H8 H 0.38139 0.73697 0.60541
H9 H 0.4197 0.69415 0.45774
H10 H 0.55781 0.79399 0.6499
C9 C 0.62358 0.72468 0.50346
O3 O 0.61049 0.69069 0.38375
C10 C 0.73927 0.72358 0.57063
C11 C 0.81971 0.75055 0.45973
H11 H 0.74551 0.76749 0.65112
H12 H 0.7575 0.66144 0.60669
C12 C 0.81641 0.85379 0.43841
H13 H 0.89567 0.73173 0.49333
H14 H 0.79821 0.71986 0.36785
C13 C 0.92297 0.88515 0.37569
H15 H 0.75224 0.87011 0.37206
H16 H 0.80925 0.88424 0.53162
C14 C 0.90793 0.97769 0.31804
H17 H 0.98416 0.88511 0.45148
H18 H 0.94124 0.84305 0.29808
C15 C 0.95498 1.00108 0.20458
H19 H 0.86157 1.02222 0.36635
H20 H 1.00134 0.95655 0.15626
C16 C 0.93994 1.09362 0.14692
C17 C 0.85004 1.09279 0.02466
C18 C 0.90573 1.15754 0.26449
H21 H 1.01035 1.11528 0.11095
H22 H 0.77958 1.07118 0.06055
H23 H 0.83987 1.15532 -0.0143
H24 H 0.8722 1.05133 -0.05177
H25 H 0.96409 1.15815 0.34391
H26 H 0.89557 1.22007 0.22554
H27 H 0.8353 1.13596 0.30049

#END
