#######################################################################
#
# CIF containing the lowest energy predicted crystal structures of CC1.
# Structures are ordered in increasing lattice energy.
#
#######################################################################

data_frm_0001
_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                   17.4894
_cell_length_b                   11.0776
_cell_length_c                   28.404
_cell_angle_alpha                90
_cell_angle_beta                 90.0625
_cell_angle_gamma                90
_cell_volume                     5503
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.471528 0.290321 0.928261
N2 N 0.672534 -0.158428 1.00701
N3 N 0.491326 -0.207363 0.808602
N4 N 0.560728 0.514269 0.904988
N5 N 0.731252 0.50935 0.702422
N6 N 0.930875 0.535813 0.894643
N7 N 1.03171 -0.152282 0.803995
N8 N 0.843862 -0.171717 1.0006
N9 N 1.01262 0.323042 0.936824
N10 N 0.937278 -0.187646 0.716603
N11 N 0.753712 0.285892 0.644028
N12 N 0.566463 -0.186463 0.713911
H1 H 0.839445 0.52305 0.941364
H2 H 0.638564 0.503337 0.773364
H3 H 0.707015 0.518474 0.919152
H4 H 0.448867 -0.0315762 0.80656
H5 H 0.464441 0.115833 0.86774
H6 H 0.604248 0.0441403 0.98972
H7 H 0.575247 -0.229639 0.88329
H8 H 0.546274 0.239478 0.98194
H9 H 0.656067 -0.272479 0.949519
H10 H 0.85812 0.0091991 1.0187
H11 H 1.05184 0.261388 0.871845
H12 H 0.907225 -0.206819 0.919383
H13 H 1.03771 0.0588517 0.842988
H14 H 0.877768 0.520593 0.809739
H15 H 0.842918 0.507351 0.72815
H16 H 0.541356 0.497208 0.832883
H17 H 0.934023 0.15214 0.97573
H18 H 0.961131 -0.262021 0.844743
H19 H 0.851098 0.124327 0.671456
H20 H 0.614248 0.0220146 0.685092
H21 H 0.792016 -0.22862 0.724018
H22 H 0.952193 -0.00992688 0.694318
H23 H 0.643976 0.221438 0.657513
H24 H 0.661183 -0.288391 0.734106
H25 H 0.494618 0.421447 0.981944
H26 H 0.399629 0.416859 0.958938
H27 H 0.444173 0.497472 0.882511
H28 H 0.462617 0.595574 0.931098
H29 H 0.728993 -0.330119 1.00904
H30 H 0.692581 -0.273294 1.06342
H31 H 0.790506 -0.111882 1.06437
H32 H 0.829529 -0.26095 1.06426
H33 H 0.424843 -0.157942 0.748169
H34 H 0.413826 -0.308349 0.769679
H35 H 0.54446 -0.361075 0.743532
H36 H 0.483281 -0.31283 0.696811
H37 H 0.821343 0.502153 0.651373
H38 H 0.73913 0.590004 0.636626
H39 H 0.660359 0.40541 0.629203
H40 H 0.739928 0.409729 0.589844
H41 H 1.01511 0.628398 0.931419
H42 H 0.957969 0.534147 0.968295
H43 H 1.07397 0.449468 0.893972
H44 H 1.08932 0.457357 0.956054
H45 H 1.00973 -0.330809 0.778223
H46 H 1.10327 -0.271027 0.768691
H47 H 1.05254 -0.123307 0.711244
H48 H 1.03566 -0.276935 0.695206
C1 C 0.532176 0.0937263 0.93055
C2 C 0.579174 0.0158381 0.956376
C3 C 0.595201 -0.101527 0.939739
C4 C 0.563696 -0.139615 0.896977
C5 C 0.516216 -0.0620422 0.870522
C6 C 0.500795 0.0539899 0.887451
C7 C 0.516498 0.216202 0.948874
C8 C 0.644754 -0.184867 0.966641
C9 C 0.482618 -0.101001 0.825207
C10 C 0.663903 0.510694 0.84811
C11 C 0.682859 0.508256 0.800306
C12 C 0.760001 0.511871 0.785865
C13 C 0.817741 0.517917 0.81989
C14 C 0.799491 0.520468 0.868254
C15 C 0.72276 0.516739 0.882056
C16 C 0.582538 0.506634 0.86214
C17 C 0.78094 0.509183 0.735438
C18 C 0.85991 0.526593 0.904649
C19 C 0.974565 -0.0835031 0.876921
C20 C 0.930638 -0.116072 0.916043
C21 C 0.915569 -0.0318982 0.95214
C22 C 0.944906 0.0851979 0.948463
C23 C 0.989283 0.119345 0.909192
C24 C 1.00377 0.0349046 0.873706
C25 C 0.989301 -0.173791 0.839661
C26 C 0.869188 -0.064931 0.993683
C27 C 1.02059 0.24289 0.904811
C28 C 0.83058 -0.0561937 0.698326
C29 C 0.808559 0.0569585 0.681186
C30 C 0.73051 0.0865881 0.676158
C31 C 0.674969 0.00155304 0.688536
C32 C 0.696315 -0.112987 0.705894
C33 C 0.773886 -0.141042 0.710698
C34 C 0.912844 -0.0845068 0.703223
C35 C 0.70632 0.205915 0.658149
C36 C 0.638235 -0.203753 0.71921
C37 C 0.460413 0.408133 0.949658
C38 C 0.479205 0.509674 0.914502
C39 C 0.720475 -0.247511 1.0302
C40 C 0.799057 -0.1937 1.04276
C41 C 0.45546 -0.235361 0.76379
C42 C 0.514762 -0.28238 0.728216
C43 C 0.758423 0.506752 0.654112
C44 C 0.723344 0.399877 0.626993
C45 C 0.985221 0.541158 0.93334
C46 C 1.04597 0.441293 0.928644
C47 C 1.04213 -0.248015 0.769679
C48 C 1.0194 -0.205184 0.720036

#END

data_frm_0002
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   13.2097
_cell_length_b                   13.2116
_cell_length_c                   19.742
_cell_angle_alpha                98.7663
_cell_angle_beta                 98.7246
_cell_angle_gamma                118.107
_cell_volume                     2903.21
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.705163 0.0261235 0.270396
N2 N 1.10332 0.0297875 0.113169
N3 N 1.19972 0.10641 0.454117
N4 N 0.473862 -0.205137 0.229801
N5 N 0.469956 -0.603457 0.386613
N6 N 0.393086 -0.699707 0.0457015
N7 N 1.0577 -0.616347 0.170302
N8 N 1.08882 -0.190647 0.0322243
N9 N 0.583629 -0.676213 -0.0275902
N10 N 1.11605 -0.557876 0.329522
N11 N 0.690224 -0.589042 0.467641
N12 N 1.17597 -0.0838106 0.527544
H1 H 0.416126 -0.534873 0.0382795
H2 H 0.484299 -0.418249 0.349775
H3 H 0.444415 -0.382447 0.135308
H4 H 1.03506 0.0840527 0.461661
H5 H 0.882622 0.0557161 0.364724
H6 H 0.91817 0.0155782 0.150178
H7 H 1.20063 0.074754 0.321516
H8 H 0.737499 -0.000298521 0.170923
H9 H 1.22296 0.0483249 0.202825
H10 H 0.907937 -0.270121 -0.0150006
H11 H 0.643643 -0.758367 0.0367418
H12 H 1.12045 -0.329747 0.100986
H13 H 0.846652 -0.679432 0.0990873
H14 H 0.424746 -0.700782 0.178198
H15 H 0.451155 -0.723232 0.296871
H16 H 0.500565 -0.237399 0.329192
H17 H 0.759867 -0.467278 -0.0167547
H18 H 1.17266 -0.442217 0.168692
H19 H 0.829558 -0.620732 0.399009
H20 H 0.967101 -0.26016 0.516967
H21 H 1.17922 -0.346889 0.400871
H22 H 0.942021 -0.672946 0.331288
H23 H 0.769941 -0.408276 0.515254
H24 H 1.25813 -0.14404 0.463244
H25 H 0.568122 -0.0116274 0.180204
H26 H 0.590364 0.0919488 0.258511
H27 H 0.511527 -0.0681315 0.319987
H28 H 0.408007 -0.0903473 0.241666
H29 H 1.26168 0.0323667 0.0978836
H30 H 1.20694 0.103526 0.0454143
H31 H 1.03303 -0.0905883 -0.023041
H32 H 1.17234 -0.0771634 -0.0287804
H33 H 1.16806 0.116777 0.557584
H34 H 1.31482 0.214462 0.552012
H35 H 1.34743 0.0455963 0.520278
H36 H 1.31474 0.061902 0.604429
H37 H 0.467067 -0.761903 0.401953
H38 H 0.396086 -0.70689 0.454444
H39 H 0.590128 -0.533303 0.522966
H40 H 0.576598 -0.672685 0.528511
H41 H 0.285293 -0.814745 -0.0522945
H42 H 0.383281 -0.667998 -0.0577945
H43 H 0.454086 -0.847466 -0.0202119
H44 H 0.437959 -0.815072 -0.104427
H45 H 1.23825 -0.534784 0.230668
H46 H 1.16538 -0.68919 0.187209
H47 H 1.03479 -0.738414 0.269131
H48 H 1.18922 -0.665383 0.312562
C1 C 0.887148 0.0341956 0.255031
C2 C 0.953116 0.0301252 0.206622
C3 C 1.06677 0.0447917 0.229907
C4 C 1.11324 0.0633636 0.302124
C5 C 1.04771 0.0676292 0.351587
C6 C 0.935225 0.0530127 0.32775
C7 C 0.768275 0.018389 0.229005
C8 C 1.13755 0.0407261 0.179393
C9 C 1.0956 0.0869872 0.428093
C10 C 0.465839 -0.387158 0.244982
C11 C 0.469658 -0.453242 0.293306
C12 C 0.454848 -0.566929 0.269936
C13 C 0.436249 -0.613355 0.197682
C14 C 0.432139 -0.547737 0.1483
C15 C 0.447055 -0.435101 0.17223
C16 C 0.481821 -0.268234 0.271107
C17 C 0.458833 -0.637779 0.320434
C18 C 0.412799 -0.595524 0.0717587
C19 C 0.992919 -0.507027 0.105044
C20 C 1.02824 -0.401639 0.083818
C21 C 0.945006 -0.385967 0.039656
C22 C 0.826109 -0.477028 0.0172087
C23 C 0.789181 -0.583822 0.0382222
C24 C 0.872705 -0.598086 0.0819803
C25 C 1.08228 -0.520706 0.151391
C26 C 0.980959 -0.275052 0.0168282
C27 C 0.663711 -0.680807 0.0149648
C28 C 1.00681 -0.493162 0.394881
C29 C 0.901459 -0.528518 0.416162
C30 C 0.88577 -0.445292 0.460375
C31 C 0.976819 -0.326437 0.482872
C32 C 1.08361 -0.289418 0.461826
C33 C 1.09786 -0.372922 0.417988
C34 C 1.02052 -0.582491 0.348477
C35 C 0.774823 -0.481278 0.483251
C36 C 1.1806 -0.164011 0.485088
C37 C 0.589799 0.00918864 0.238686
C38 C 0.490818 -0.0897987 0.261527
C39 C 1.18032 0.0269257 0.068565
C40 C 1.11364 -0.0859265 0.00672956
C41 C 1.23722 0.124445 0.530122
C42 C 1.27683 0.0364609 0.546762
C43 C 0.472629 -0.680477 0.431239
C44 C 0.58542 -0.613922 0.493085
C45 C 0.375275 -0.737299 -0.0303717
C46 C 0.463372 -0.776942 -0.0467923
C47 C 1.15282 -0.619486 0.215896
C48 C 1.11941 -0.652937 0.283903

#END

data_frm_0003
_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                   14.1222
_cell_length_b                   18.3598
_cell_length_c                   22.6374
_cell_angle_alpha                90
_cell_angle_beta                 75.4309
_cell_angle_gamma                90
_cell_volume                     5680.71
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.835541 0.192267 0.659548
N2 N 1.00886 0.391921 0.844241
N3 N 0.956146 0.0439625 0.890268
N4 N 0.95942 0.185586 0.530598
N5 N 1.32466 -0.0393478 0.484449
N6 N 1.40411 0.307279 0.445275
N7 N 1.59684 0.235849 0.754898
N8 N 1.21603 0.446603 0.815995
N9 N 1.46639 0.403803 0.535904
N10 N 1.55638 0.0775827 0.784847
N11 N 1.39859 -0.107557 0.584988
N12 N 1.12147 -0.0635596 0.858272
H1 H 1.25847 0.340288 0.473133
H2 H 1.1579 0.0274501 0.510984
H3 H 1.12038 0.259782 0.50028
H4 H 0.907664 0.0201656 0.812716
H5 H 0.876334 0.108662 0.741917
H6 H 0.942275 0.336074 0.75768
H7 H 0.994532 0.181951 0.889686
H8 H 0.880151 0.297811 0.67326
H9 H 1.03612 0.307367 0.899176
H10 H 1.21805 0.472319 0.726024
H11 H 1.56532 0.327684 0.553556
H12 H 1.35657 0.355529 0.814682
H13 H 1.57216 0.287337 0.653298
H14 H 1.41035 0.167259 0.457288
H15 H 1.43542 0.03867 0.464912
H16 H 0.995067 0.0763309 0.53767
H17 H 1.34229 0.435087 0.637923
H18 H 1.48065 0.270912 0.825556
H19 H 1.49123 -0.027732 0.646413
H20 H 1.20105 -0.0929962 0.744769
H21 H 1.37916 0.0355653 0.834459
H22 H 1.59193 0.0461821 0.693425
H23 H 1.25833 -0.12709 0.639401
H24 H 1.2168 0.00323887 0.89056
H25 H 0.819162 0.273345 0.594681
H26 H 0.725848 0.205574 0.61428
H27 H 0.840273 0.110964 0.560521
H28 H 0.82257 0.184042 0.51236
H29 H 1.07385 0.42075 0.916994
H30 H 0.986818 0.482975 0.900385
H31 H 1.10139 0.515835 0.801976
H32 H 1.14756 0.534496 0.867016
H33 H 0.92674 -0.0680939 0.87511
H34 H 0.896411 -0.0371345 0.95235
H35 H 1.07162 -0.0244346 0.95011
H36 H 1.03735 -0.114973 0.935443
H37 H 1.47224 -0.0784171 0.466301
H38 H 1.38724 -0.132415 0.438767
H39 H 1.30051 -0.166717 0.544203
H40 H 1.42621 -0.193381 0.523362
H41 H 1.47353 0.388061 0.385795
H42 H 1.37633 0.422154 0.445922
H43 H 1.57338 0.361833 0.458793
H44 H 1.54113 0.455618 0.456287
H45 H 1.5919 0.196288 0.844708
H46 H 1.70986 0.215605 0.79609
H47 H 1.69654 0.110741 0.729962
H48 H 1.68973 0.0861759 0.807266
C1 C 0.905266 0.223757 0.74365
C2 C 0.939774 0.280183 0.774149
C3 C 0.972216 0.265897 0.82711
C4 C 0.969774 0.194505 0.848977
C5 C 0.935213 0.137019 0.818685
C6 C 0.903242 0.151986 0.766269
C7 C 0.87187 0.240413 0.688239
C8 C 1.00886 0.32496 0.859839
C9 C 0.932364 0.0612416 0.841214
C10 C 1.12715 0.14297 0.507653
C11 C 1.18825 0.0820398 0.501638
C12 C 1.29089 0.0899407 0.483407
C13 C 1.33137 0.15956 0.471325
C14 C 1.27064 0.221548 0.477185
C15 C 1.16901 0.212888 0.495343
C16 C 1.01988 0.13292 0.526915
C17 C 1.35645 0.0260277 0.476938
C18 C 1.31234 0.295513 0.464699
C19 C 1.4703 0.316424 0.737918
C20 C 1.38683 0.356796 0.765417
C21 C 1.33976 0.40009 0.729864
C22 C 1.37725 0.402279 0.666516
C23 C 1.46138 0.361825 0.638147
C24 C 1.50727 0.319183 0.673986
C25 C 1.51793 0.271527 0.776435
C26 C 1.25142 0.443005 0.758258
C27 C 1.50177 0.363554 0.571202
C28 C 1.44537 0.00821605 0.740651
C29 C 1.43323 -0.0276476 0.688536
C30 C 1.34531 -0.0645754 0.689317
C31 C 1.26985 -0.0650126 0.742869
C32 C 1.28099 -0.0290431 0.795803
C33 C 1.36856 0.0073198 0.794336
C34 C 1.53837 0.0464647 0.738375
C35 C 1.33132 -0.102658 0.63456
C36 C 1.20178 -0.0289401 0.852738
C37 C 0.80503 0.215138 0.605724
C38 C 0.855618 0.169097 0.549838
C39 C 1.04663 0.445278 0.879834
C40 C 1.12904 0.490662 0.838716
C41 C 0.950222 -0.0322427 0.90793
C42 C 1.04898 -0.059532 0.916505
C43 C 1.39585 -0.0979484 0.476832
C44 C 1.37655 -0.146378 0.534146
C45 C 1.4368 0.382295 0.434542
C46 C 1.51226 0.401044 0.470858
C47 C 1.63697 0.193685 0.797155
C48 C 1.65041 0.113386 0.777227

#END

data_frm_0004
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_Int_Tables_number      19
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 -x,1/2+y,1/2-z
4 1/2+x,1/2-y,-z
_cell_length_a                   18.3517
_cell_length_b                   26.848
_cell_length_c                   11.4117
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5622.62
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.272085 0.932199 0.774469
N2 N 0.0917971 0.724984 0.80953
N3 N 0.262193 0.810404 1.26506
N4 N 0.18184 1.02311 0.72432
N5 N 0.016219 1.11823 1.17355
N6 N -0.171316 1.02728 0.742123
N7 N -0.253738 0.819862 1.25722
N8 N -0.0711797 0.71927 0.831997
N9 N -0.243805 0.926944 0.747946
N10 N -0.164456 0.852812 1.46398
N11 N -0.00122103 1.06555 1.40425
N12 N 0.188621 0.863417 1.46438
H1 H -0.0831962 1.00153 0.644172
H2 H 0.10579 1.08289 1.01932
H3 H 0.0426605 1.01409 0.693267
H4 H 0.298729 0.876353 1.18859
H5 H 0.281678 0.899087 0.987048
H6 H 0.152109 0.808893 0.753927
H7 H 0.183985 0.763077 1.11242
H8 H 0.202905 0.885177 0.680879
H9 H 0.109052 0.712561 0.987694
H10 H -0.0884235 0.775689 0.70969
H11 H -0.280859 0.935981 0.919321
H12 H -0.132078 0.745478 1.0272
H13 H -0.263428 0.87706 1.07512
H14 H -0.121796 1.06534 0.934762
H15 H -0.0896599 1.10202 1.11946
H16 H 0.199472 1.05331 0.890154
H17 H -0.164561 0.847277 0.739651
H18 H -0.183435 0.761324 1.21702
H19 H -0.0899671 0.99081 1.41924
H20 H 0.138057 0.952449 1.43293
H21 H -0.0250921 0.837679 1.4645
H22 H -0.182927 0.928185 1.4318
H23 H 0.104921 1.038 1.40265
H24 H 0.100975 0.814034 1.46794
H25 H 0.248105 0.952573 0.596948
H26 H 0.338285 0.964632 0.648282
H27 H 0.292835 1.03098 0.779782
H28 H 0.273922 1.04199 0.628481
H29 H 0.0418436 0.660192 0.884366
H30 H 0.0761635 0.654626 0.738509
H31 H -0.0206342 0.71051 0.663911
H32 H -0.0545155 0.655431 0.732862
H33 H 0.323431 0.860083 1.37424
H34 H 0.337567 0.794928 1.39566
H35 H 0.213894 0.785685 1.47894
H36 H 0.270325 0.827966 1.5586
H37 H -0.0702625 1.13891 1.29011
H38 H 0.00585984 1.18017 1.2812
H39 H 0.0848146 1.11861 1.38087
H40 H 0.00829465 1.13791 1.46637
H41 H -0.252957 1.04061 0.620182
H42 H -0.195867 0.989315 0.581563
H43 H -0.305709 0.992817 0.785013
H44 H -0.319476 0.96437 0.64532
H45 H -0.229294 0.76831 1.39515
H46 H -0.319856 0.792572 1.38999
H47 H -0.27572 0.876132 1.44785
H48 H -0.256541 0.828666 1.55312
C1 C 0.218687 0.858123 0.860171
C2 C 0.17606 0.815812 0.839744
C3 C 0.163094 0.781052 0.930157
C4 C 0.193227 0.789265 1.04104
C5 C 0.236307 0.831792 1.06299
C6 C 0.248738 0.865908 0.972538
C7 C 0.231229 0.893905 0.763726
C8 C 0.118184 0.736158 0.909894
C9 C 0.268419 0.841012 1.17984
C10 C 0.0827314 1.0477 0.852201
C11 C 0.0639469 1.07019 0.958511
C12 C -0.00984764 1.07687 0.989595
C13 C -0.0644042 1.06073 0.912904
C14 C -0.0462883 1.03798 0.805317
C15 C 0.0270967 1.03158 0.775687
C16 C 0.160534 1.04117 0.822182
C17 C -0.0305467 1.10053 1.10181
C18 C -0.103356 1.02063 0.723424
C19 C -0.199611 0.809884 1.06489
C20 C -0.156426 0.779586 0.993319
C21 C -0.143334 0.792558 0.875374
C22 C -0.173894 0.836267 0.830292
C23 C -0.217551 0.867209 0.901471
C24 C -0.230084 0.853844 1.0182
C25 C -0.212285 0.795269 1.18819
C26 C -0.0977579 0.760945 0.798674
C27 C -0.250156 0.913568 0.854994
C28 C -0.0660294 0.912265 1.44255
C29 C -0.0478198 0.962474 1.42812
C30 C 0.0257753 0.977614 1.42457
C31 C 0.0807362 0.941839 1.43553
C32 C 0.0632046 0.891036 1.45011
C33 C -0.00997308 0.876597 1.45345
C34 C -0.143671 0.897565 1.44584
C35 C 0.0459036 1.03056 1.4092
C36 C 0.120734 0.852776 1.46162
C37 C 0.28044 0.964637 0.673461
C38 C 0.25974 1.01863 0.704427
C39 C 0.0484758 0.679892 0.800021
C40 C -0.027331 0.69133 0.748877
C41 C 0.296224 0.823416 1.37576
C42 C 0.240199 0.822638 1.47617
C43 C -0.0103834 1.14072 1.28115
C44 C 0.024921 1.11621 1.38909
C45 C -0.222545 1.00865 0.655459
C46 C -0.27829 0.973222 0.712255
C47 C -0.262107 0.801907 1.37648
C48 C -0.242224 0.842765 1.46556

#END

data_frm_0005
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   11.6972
_cell_length_b                   18.832
_cell_length_c                   13.1234
_cell_angle_alpha                90.3787
_cell_angle_beta                 97.3109
_cell_angle_gamma                88.3343
_cell_volume                     2866.12
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.715255 0.996305 0.902645
N2 N 1.17846 1.0065 0.679688
N3 N 1.17184 0.811984 1.08475
N4 N 0.509754 0.934599 0.775538
N5 N 0.503661 0.590505 0.760746
N6 N 0.532908 0.768396 0.343934
N7 N 1.18484 0.584193 0.440499
N8 N 1.21102 0.926675 0.485904
N9 N 0.751625 0.785356 0.249806
N10 N 1.19326 0.504155 0.638834
N11 N 0.709593 0.49583 0.830765
N12 N 1.1464 0.653703 1.07877
H1 H 0.54115 0.868875 0.41152
H2 H 0.509117 0.724395 0.806329
H3 H 0.525845 0.893424 0.589068
H4 H 0.999331 0.831893 1.10288
H5 H 0.870722 0.912402 1.00006
H6 H 0.974951 1.01727 0.737123
H7 H 1.21492 0.877513 0.921574
H8 H 0.781066 1.03643 0.775044
H9 H 1.27584 0.932328 0.77377
H10 H 1.0437 0.950533 0.417638
H11 H 0.804864 0.679624 0.274913
H12 H 1.23944 0.789821 0.492264
H13 H 0.991056 0.640563 0.357043
H14 H 0.527633 0.675242 0.487332
H15 H 0.523218 0.579077 0.605751
H16 H 0.512342 0.844732 0.867726
H17 H 0.910464 0.865356 0.339858
H18 H 1.28683 0.665155 0.50764
H19 H 0.879278 0.487917 0.721816
H20 H 0.949671 0.601154 1.0086
H21 H 1.2156 0.57296 0.811391
H22 H 1.02276 0.473112 0.607406
H23 H 0.759525 0.557479 0.960359
H24 H 1.25796 0.638868 0.968097
H25 H 0.601869 1.06309 0.800958
H26 H 0.591028 1.07113 0.935035
H27 H 0.507956 0.951892 0.936926
H28 H 0.42459 1.01276 0.851749
H29 H 1.3488 0.9809 0.644271
H30 H 1.29885 1.07102 0.626493
H31 H 1.1576 1.03659 0.478936
H32 H 1.30398 1.01595 0.461701
H33 H 1.10734 0.759278 1.20907
H34 H 1.25225 0.788467 1.23133
H35 H 1.31424 0.697672 1.11125
H36 H 1.25362 0.661259 1.21695
H37 H 0.513545 0.484154 0.702546
H38 H 0.417732 0.500761 0.796162
H39 H 0.582326 0.517868 0.931517
H40 H 0.581806 0.431984 0.872812
H41 H 0.460978 0.785981 0.193005
H42 H 0.549295 0.856617 0.244824
H43 H 0.63233 0.70586 0.192282
H44 H 0.636394 0.783583 0.115781
H45 H 1.34775 0.553255 0.524455
H46 H 1.30089 0.503503 0.41124
H47 H 1.14539 0.451211 0.495298
H48 H 1.28677 0.432021 0.559515
C1 C 0.909811 0.9686 0.866834
C2 C 0.993584 0.981777 0.802711
C3 C 1.10445 0.949261 0.82163
C4 C 1.13011 0.903404 0.905324
C5 C 1.04649 0.88957 0.970659
C6 C 0.936996 0.922196 0.951005
C7 C 0.794387 1.00339 0.844965
C8 C 1.19388 0.962677 0.754566
C9 C 1.07232 0.84111 1.05932
C10 C 0.516884 0.81508 0.706537
C11 C 0.514053 0.742625 0.72842
C12 C 0.517792 0.691373 0.649886
C13 C 0.524427 0.713661 0.5494
C14 C 0.527315 0.786569 0.526144
C15 C 0.523628 0.836793 0.604798
C16 C 0.51299 0.867502 0.790515
C17 C 0.515039 0.614557 0.671886
C18 C 0.534557 0.810952 0.420321
C19 C 1.12388 0.708293 0.427915
C20 C 1.15557 0.778309 0.450199
C21 C 1.07938 0.83573 0.418709
C22 C 0.971144 0.822079 0.364897
C23 C 0.937994 0.751719 0.34191
C24 C 1.01446 0.695344 0.373575
C25 C 1.20565 0.649246 0.462028
C26 C 1.11159 0.910014 0.441763
C27 C 0.823755 0.736493 0.28516
C28 C 1.05248 0.527389 0.756189
C29 C 0.939601 0.516659 0.776091
C30 C 0.901133 0.542963 0.867114
C31 C 0.977076 0.580133 0.937711
C32 C 1.0912 0.5914 0.918674
C33 C 1.12809 0.565019 0.828119
C34 C 1.09019 0.499198 0.660064
C35 C 0.781985 0.53213 0.889183
C36 C 1.17243 0.630706 0.99253
C37 C 0.605305 1.03324 0.873465
C38 C 0.505638 0.980983 0.863928
C39 C 1.27258 1.01539 0.619018
C40 C 1.23301 1.00148 0.504395
C41 C 1.18707 0.765454 1.17352
C42 C 1.23344 0.691555 1.14517
C43 C 0.501912 0.513976 0.773426
C44 C 0.594935 0.488721 0.860257
C45 C 0.540508 0.798362 0.243323
C46 C 0.642078 0.764009 0.195157
C47 C 1.27171 0.530758 0.478094
C48 C 1.2205 0.474368 0.542128

#END

data_frm_0006
_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                   17.5768
_cell_length_b                   11.4936
_cell_length_c                   27.9021
_cell_angle_alpha                90
_cell_angle_beta                 90.1972
_cell_angle_gamma                90
_cell_volume                     5636.77
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.508664 0.40412 0.556549
N2 N 0.454332 -0.0361012 0.697731
N3 N 0.635776 -0.105899 0.497791
N4 N 0.606333 0.595178 0.596957
N5 N 0.969994 0.504732 0.586316
N6 N 0.80395 0.548239 0.792698
N7 N 0.912056 -0.14906 0.789311
N8 N 0.545811 -0.0804067 0.787102
N9 N 0.764862 0.343213 0.854757
N10 N 0.983479 -0.190393 0.693078
N11 N 1.04018 0.272072 0.564917
N12 N 0.805784 -0.125316 0.490741
H1 H 0.693223 0.564965 0.766675
H2 H 0.825748 0.534796 0.572038
H3 H 0.658729 0.57757 0.683521
H4 H 0.634912 0.0681779 0.476793
H5 H 0.572087 0.222616 0.518905
H6 H 0.464553 0.163756 0.655445
H7 H 0.571217 -0.121086 0.580863
H8 H 0.465932 0.357554 0.623468
H9 H 0.514848 -0.157633 0.657598
H10 H 0.545278 0.0942305 0.807175
H11 H 0.868083 0.259741 0.841905
H12 H 0.685941 -0.147318 0.779539
H13 H 0.881475 0.0615418 0.81605
H14 H 0.894113 0.519543 0.720485
H15 H 0.988809 0.490463 0.659888
H16 H 0.695095 0.562397 0.549503
H17 H 0.655864 0.205098 0.828961
H18 H 0.810381 -0.229881 0.769857
H19 H 1.03415 0.108965 0.628832
H20 H 0.889373 0.0567207 0.505617
H21 H 0.898109 -0.201989 0.617399
H22 H 1.03892 -0.0300789 0.692926
H23 H 0.961513 0.233629 0.511175
H24 H 0.814275 -0.233223 0.550582
H25 H 0.458325 0.539682 0.598635
H26 H 0.443254 0.545532 0.53537
H27 H 0.578779 0.593325 0.522059
H28 H 0.53002 0.696866 0.558467
H29 H 0.462471 -0.208734 0.726386
H30 H 0.374834 -0.133281 0.735274
H31 H 0.437141 0.0034628 0.791648
H32 H 0.441912 -0.145197 0.81015
H33 H 0.691774 -0.0639982 0.431885
H34 H 0.641958 -0.199229 0.43424
H35 H 0.737017 -0.279407 0.490844
H36 H 0.776477 -0.235753 0.434764
H37 H 1.08414 0.468049 0.609071
H38 H 1.07285 0.561889 0.558541
H39 H 1.02664 0.397961 0.508852
H40 H 1.12054 0.377308 0.53205
H41 H 0.803231 0.631791 0.858655
H42 H 0.715005 0.562285 0.844801
H43 H 0.866552 0.440928 0.868417
H44 H 0.788815 0.462923 0.908438
H45 H 0.919652 -0.322206 0.761183
H46 H 0.984462 -0.284284 0.808082
H47 H 1.05357 -0.15078 0.753948
H48 H 1.0526 -0.298429 0.733966
C1 C 0.516071 0.207143 0.587166
C2 C 0.495722 0.131977 0.624411
C3 C 0.515212 0.0129195 0.62261
C4 C 0.555349 -0.0296361 0.583123
C5 C 0.57629 0.0451324 0.545296
C6 C 0.556562 0.162896 0.547559
C7 C 0.494909 0.331457 0.590109
C8 C 0.494112 -0.0675706 0.66169
C9 C 0.618846 0.0013986 0.503365
C10 C 0.735297 0.558054 0.623896
C11 C 0.810574 0.539202 0.609827
C12 C 0.868703 0.525195 0.644359
C13 C 0.850407 0.530275 0.693068
C14 C 0.774714 0.549255 0.707809
C15 C 0.717654 0.562922 0.67317
C16 C 0.675631 0.572254 0.586857
C17 C 0.94856 0.505034 0.630022
C18 C 0.754451 0.554611 0.759155
C19 C 0.789718 -0.0534911 0.7966
C20 C 0.71084 -0.0659922 0.792119
C21 C 0.661634 0.0267015 0.80376
C22 C 0.69247 0.131958 0.819827
C23 C 0.771929 0.145847 0.824512
C24 C 0.819979 0.0531733 0.812858
C25 C 0.839789 -0.152265 0.784077
C26 C 0.578158 0.0148447 0.799173
C27 C 0.805321 0.256712 0.841402
C28 C 0.969342 -0.0517716 0.628243
C29 C 0.993298 0.0549814 0.609549
C30 C 0.964947 0.095396 0.565207
C31 C 0.91233 0.0276062 0.539928
C32 C 0.887606 -0.0802862 0.558328
C33 C 0.916205 -0.119181 0.60232
C34 C 1.00007 -0.0917061 0.674823
C35 C 0.989642 0.208167 0.545021
C36 C 0.831902 -0.152826 0.532035
C37 C 0.485022 0.524058 0.563452
C38 C 0.552783 0.607668 0.557526
C39 C 0.437017 -0.122801 0.733959
C40 C 0.463312 -0.0818431 0.783876
C41 C 0.67759 -0.138677 0.455085
C42 C 0.751341 -0.203592 0.468317
C43 C 1.04998 0.484154 0.57643
C44 C 1.05999 0.381102 0.541781
C45 C 0.777455 0.554541 0.841925
C46 C 0.804 0.447629 0.870729
C47 C 0.955393 -0.251449 0.775842
C48 C 1.01721 -0.220467 0.739036

#END

data_frm_0007
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_Int_Tables_number      19
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 -x,1/2+y,1/2-z
4 1/2+x,1/2-y,-z
_cell_length_a                   28.932
_cell_length_b                   11.0601
_cell_length_c                   17.4132
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5572.06
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.851816 0.028491 0.819385
N2 N 1.05064 0.00415195 0.990672
N3 N 0.862139 0.0316883 1.19146
N4 N 0.827144 -0.190159 0.725557
N5 N 0.74615 -0.644489 0.91859
N6 N 0.94045 -0.695826 0.735898
N7 N 1.03068 -0.702426 1.18455
N8 N 1.10597 -0.224014 1.0092
N9 N 1.03349 -0.684012 0.81225
N10 N 0.945131 -0.666452 1.27978
N11 N 0.752133 -0.666239 1.09036
N12 N 0.818745 -0.182403 1.26932
H1 H 0.944068 -0.517902 0.696979
H2 H 0.764791 -0.439447 0.853975
H3 H 0.885196 -0.367692 0.715266
H4 H 0.816191 0.0264871 1.09929
H5 H 0.837991 0.0268202 0.966309
H6 H 0.98094 0.00652191 0.89744
H7 H 0.945375 0.0142518 1.13785
H8 H 0.922488 0.00862795 0.799677
H9 H 1.02532 -0.00190902 1.10268
H10 H 1.09199 -0.282428 0.897832
H11 H 1.01268 -0.789323 0.905325
H12 H 1.07753 -0.388514 1.1039
H13 H 1.02305 -0.736159 1.0379
H14 H 0.866995 -0.718068 0.819621
H15 H 0.801601 -0.761181 0.89987
H16 H 0.774103 -0.241507 0.799684
H17 H 1.06331 -0.4791 0.864211
H18 H 1.0539 -0.526357 1.20286
H19 H 0.831459 -0.708955 1.1537
H20 H 0.779045 -0.347812 1.18733
H21 H 0.908582 -0.45331 1.28979
H22 H 0.904199 -0.770884 1.20694
H23 H 0.735702 -0.485009 1.10838
H24 H 0.881932 -0.249816 1.30774
H25 H 0.873796 0.0157952 0.702076
H26 H 0.826946 0.115884 0.722329
H27 H 0.775537 -0.0570431 0.751051
H28 H 0.798157 -0.0584405 0.655631
H29 H 1.10057 -0.0104342 1.08116
H30 H 1.11588 0.0806824 1.00041
H31 H 1.12154 -0.100859 0.91773
H32 H 1.16024 -0.102526 0.997677
H33 H 0.789845 0.0334539 1.21834
H34 H 0.826849 0.122757 1.27762
H35 H 0.861793 -0.0613106 1.33358
H36 H 0.800904 -0.0504348 1.34875
H37 H 0.742564 -0.818945 0.971945
H38 H 0.689733 -0.757063 0.936376
H39 H 0.690045 -0.600367 1.03781
H40 H 0.688972 -0.751452 1.07408
H41 H 0.977971 -0.795395 0.65636
H42 H 1.00037 -0.646617 0.670486
H43 H 1.00286 -0.855907 0.786762
H44 H 1.04926 -0.807681 0.726471
H45 H 1.03641 -0.643402 1.3014
H46 H 1.05092 -0.797246 1.28169
H47 H 0.969014 -0.845592 1.25457
H48 H 0.978826 -0.790466 1.3496
C1 C 0.907618 0.0170133 0.922902
C2 C 0.954532 0.0107748 0.941943
C3 C 0.968731 0.00985235 1.0195
C4 C 0.935377 0.0150432 1.07754
C5 C 0.887924 0.0213068 1.05921
C6 C 0.874374 0.0222235 0.982109
C7 C 0.893822 0.0177065 0.841128
C8 C 1.01817 0.0033016 1.04052
C9 C 0.852277 0.0266349 1.11997
C10 C 0.823318 -0.389682 0.782742
C11 C 0.797291 -0.468501 0.828269
C12 C 0.812619 -0.587655 0.842094
C13 C 0.854299 -0.626647 0.809781
C14 C 0.880936 -0.548168 0.763713
C15 C 0.865323 -0.430244 0.750541
C16 C 0.806367 -0.265312 0.76939
C17 C 0.785494 -0.671981 0.890211
C18 C 0.925111 -0.587996 0.729281
C19 C 1.04971 -0.566792 1.07987
C20 C 1.06745 -0.453407 1.0599
C21 C 1.07265 -0.420397 0.982108
C22 C 1.05978 -0.502264 0.924728
C23 C 1.04182 -0.616944 0.944036
C24 C 1.03688 -0.6484 1.02138
C25 C 1.04465 -0.598675 1.16193
C26 C 1.09132 -0.300861 0.960084
C27 C 1.02801 -0.704357 0.883966
C28 C 0.874147 -0.590973 1.22364
C29 C 0.835492 -0.619401 1.17892
C30 C 0.800764 -0.532447 1.16531
C31 C 0.805297 -0.41687 1.19699
C32 C 0.844116 -0.386832 1.24221
C33 C 0.878257 -0.473971 1.25519
C34 C 0.909975 -0.68407 1.23681
C35 C 0.759717 -0.561078 1.11805
C36 C 0.849424 -0.264938 1.27598
C37 C 0.842468 0.0282574 0.737406
C38 C 0.807138 -0.0705588 0.716593
C39 C 1.09799 -0.00261499 1.01805
C40 C 1.12368 -0.109513 0.980841
C41 C 0.824181 0.0369102 1.24591
C42 C 0.827761 -0.0660583 1.3051
C43 C 0.722555 -0.73461 0.964936
C44 C 0.710608 -0.683854 1.04482
C45 C 0.984308 -0.724773 0.699579
C46 C 1.01867 -0.77668 0.758503
C47 C 1.02713 -0.723411 1.26664
C48 C 0.978058 -0.764629 1.28861

#END

data_frm_0008
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
_cell_length_a                   23.327
_cell_length_b                   10.957
_cell_length_c                   23.0974
_cell_angle_alpha                90
_cell_angle_beta                 75.1727
_cell_angle_gamma                90
_cell_volume                     5706.98
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.828809 0.283859 0.666088
N2 N 0.839057 -0.176136 0.839847
N3 N 0.958685 -0.217955 0.554358
N4 N 0.893744 0.508284 0.688917
N5 N 1.17805 0.501926 0.573647
N6 N 1.07307 0.520662 0.861982
N7 N 1.20986 -0.176163 0.817538
N8 N 0.92367 -0.193892 0.918173
N9 N 1.06682 0.302843 0.942433
N10 N 1.25584 -0.208178 0.684455
N11 N 1.24731 0.276329 0.525591
N12 N 1.08955 -0.197369 0.498384
H1 H 0.983718 0.509414 0.862704
H2 H 1.06344 0.497176 0.597654
H3 H 0.946001 0.508545 0.775264
H4 H 0.941833 -0.0391379 0.532619
H5 H 0.886883 0.108556 0.601685
H6 H 0.826049 0.0306646 0.790503
H7 H 0.920718 -0.243766 0.669293
H8 H 0.808019 0.22973 0.755586
H9 H 0.889913 -0.290144 0.774223
H10 H 0.912133 -0.0116443 0.944387
H11 H 1.15081 0.240459 0.897357
H12 H 1.0353 -0.2298 0.869245
H13 H 1.17332 0.0365255 0.860455
H14 H 1.13541 0.507909 0.751952
H15 H 1.2027 0.496641 0.654221
H16 H 0.958413 0.492615 0.60816
H17 H 0.9909 0.131535 0.940646
H18 H 1.13586 -0.285884 0.821964
H19 H 1.26335 0.11009 0.599613
H20 H 1.14123 0.0125746 0.495153
H21 H 1.18197 -0.24596 0.619608
H22 H 1.28579 -0.0285793 0.671175
H23 H 1.18337 0.213811 0.484134
H24 H 1.11189 -0.303139 0.564395
H25 H 0.784902 0.415014 0.731363
H26 H 0.765046 0.413171 0.661673
H27 H 0.863492 0.494653 0.608988
H28 H 0.822579 0.592611 0.666708
H29 H 0.862313 -0.351184 0.868527
H30 H 0.790395 -0.293606 0.904503
H31 H 0.834451 -0.132978 0.955061
H32 H 0.852003 -0.28468 0.97316
H33 H 0.99013 -0.165378 0.462284
H34 H 0.962816 -0.317463 0.476936
H35 H 1.0489 -0.373754 0.515414
H36 H 1.06877 -0.322697 0.439469
H37 H 1.27117 0.49308 0.567863
H38 H 1.24894 0.584229 0.513305
H39 H 1.22015 0.399775 0.465678
H40 H 1.29658 0.402678 0.466294
H41 H 1.07419 0.611523 0.940555
H42 H 1.01031 0.517175 0.947945
H43 H 1.13879 0.42969 0.931481
H44 H 1.08249 0.436339 1.0003
H45 H 1.22568 -0.355688 0.779967
H46 H 1.27819 -0.297527 0.817288
H47 H 1.314 -0.146037 0.736667
H48 H 1.3223 -0.300649 0.711384
C1 C 0.853648 0.0835229 0.696917
C2 C 0.848553 0.00319768 0.745037
C3 C 0.872541 -0.115611 0.735723
C4 C 0.901712 -0.152663 0.677734
C5 C 0.907226 -0.0726225 0.62874
C6 C 0.883201 0.044811 0.638638
C7 C 0.828109 0.207464 0.708101
C8 C 0.867502 -0.201535 0.786128
C9 C 0.938027 -0.110469 0.56719
C10 C 0.998766 0.502855 0.68388
C11 C 1.05616 0.500619 0.646144
C12 C 1.10606 0.502493 0.670102
C13 C 1.09769 0.5066 0.732242
C14 C 1.04005 0.508932 0.770876
C15 C 0.990991 0.506938 0.746494
C16 C 0.947363 0.50064 0.657427
C17 C 1.16703 0.499982 0.630757
C18 C 1.03049 0.513018 0.836675
C19 C 1.10959 -0.106251 0.861614
C20 C 1.04959 -0.138622 0.878203
C21 C 1.00611 -0.0536823 0.906923
C22 C 1.02351 0.06398 0.918662
C23 C 1.08388 0.097943 0.902172
C24 C 1.12647 0.0127357 0.873761
C25 C 1.15409 -0.197341 0.83155
C26 C 0.942519 -0.0865038 0.924673
C27 C 1.10291 0.222084 0.914248
C28 C 1.22616 -0.0722663 0.614629
C29 C 1.23387 0.0429407 0.58767
C30 C 1.20349 0.0749797 0.544327
C31 C 1.16534 -0.0097335 0.528436
C32 C 1.15709 -0.126324 0.55526
C33 C 1.1875 -0.156756 0.598149
C34 C 1.2586 -0.103087 0.659945
C35 C 1.21111 0.196505 0.515484
C36 C 1.11683 -0.216783 0.538979
C37 C 0.802204 0.402922 0.682538
C38 C 0.846854 0.505604 0.657936
C39 C 0.837046 -0.267771 0.885756
C40 C 0.860192 -0.215583 0.937402
C41 C 0.987972 -0.244678 0.492266
C42 C 1.05117 -0.293201 0.4862
C43 C 1.23969 0.499317 0.539471
C44 C 1.25111 0.392595 0.494625
C45 C 1.05839 0.524084 0.927034
C46 C 1.09063 0.42163 0.951733
C47 C 1.24936 -0.272698 0.788173
C48 C 1.28974 -0.228082 0.728343

#END

data_frm_0009
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a 21'
_symmetry_Int_Tables_number      33
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,1/2+z
3 1/2+x,1/2-y,z
4 1/2-x,1/2+y,1/2+z
_cell_length_a                   27.1133
_cell_length_b                   11.1794
_cell_length_c                   18.636
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5648.77
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.831405 0.253798 0.747456
N2 N 0.94469 -0.25706 0.752302
N3 N 1.02969 0.188033 0.938108
N4 N 0.72887 0.252114 0.808596
N5 N 0.716025 0.277417 1.15569
N6 N 0.635995 -0.191666 0.987398
N7 N 0.883884 -0.463615 1.18409
N8 N 0.910688 -0.469073 0.838284
N9 N 0.692256 -0.422632 0.977165
N10 N 0.929942 -0.254328 1.25998
N11 N 0.802482 0.236437 1.2536
N12 N 1.01598 0.214143 1.09727
H1 H 0.656319 -0.13732 0.884599
H2 H 0.731106 0.307033 1.0197
H3 H 0.69155 0.0534284 0.855091
H4 H 0.973349 0.30842 0.914019
H5 H 0.906466 0.270404 0.832799
H6 H 0.886089 -0.0762968 0.735807
H7 H 1.00943 -0.0141784 0.877015
H8 H 0.826653 0.0775458 0.711558
H9 H 0.998705 -0.210029 0.826725
H10 H 0.836756 -0.441864 0.81249
H11 H 0.714455 -0.417229 1.08422
H12 H 0.919233 -0.464847 0.976655
H13 H 0.797861 -0.439752 1.12537
H14 H 0.664532 -0.0297311 1.07761
H15 H 0.68767 0.106103 1.17148
H16 H 0.748686 0.35585 0.896934
H17 H 0.770352 -0.433304 0.897552
H18 H 0.936762 -0.463993 1.10291
H19 H 0.837562 0.0222615 1.2678
H20 H 0.9296 0.265269 1.14794
H21 H 0.978276 -0.0961464 1.18677
H22 H 0.862025 -0.181098 1.28854
H23 H 0.850686 0.334223 1.18925
H24 H 1.03002 0.033862 1.11729
H25 H 0.769853 0.209289 0.680343
H26 H 0.796484 0.354039 0.668667
H27 H 0.76506 0.418759 0.787088
H28 H 0.717709 0.373966 0.726148
H29 H 0.996232 -0.393454 0.782508
H30 H 0.976514 -0.391546 0.691075
H31 H 0.892625 -0.456011 0.726565
H32 H 0.939927 -0.559673 0.750818
H33 H 1.03389 0.361446 0.986784
H34 H 1.09067 0.294285 0.959791
H35 H 1.08347 0.142209 1.0556
H36 H 1.08518 0.292229 1.0884
H37 H 0.704099 0.222535 1.26455
H38 H 0.691795 0.375474 1.24348
H39 H 0.780806 0.415092 1.22625
H40 H 0.765519 0.363736 1.31427
H41 H 0.576892 -0.306897 0.971968
H42 H 0.621272 -0.313828 0.901294
H43 H 0.635477 -0.402045 1.05627
H44 H 0.621293 -0.492201 0.979931
H45 H 0.959663 -0.471136 1.21653
H46 H 0.916501 -0.55506 1.26856
H47 H 0.879502 -0.368755 1.31595
H48 H 0.943476 -0.385076 1.3366
C1 C 0.891358 0.102667 0.780292
C2 C 0.906713 -0.0156313 0.770338
C3 C 0.949409 -0.0591644 0.804931
C4 C 0.976391 0.0171617 0.849575
C5 C 0.961342 0.136696 0.860171
C6 C 0.918977 0.178621 0.825517
C7 C 0.846442 0.145634 0.743383
C8 C 0.966104 -0.183932 0.794923
C9 C 0.989457 0.218361 0.907327
C10 C 0.713246 0.189102 0.930944
C11 C 0.715643 0.221289 1.00337
C12 C 0.698124 0.143083 1.05707
C13 C 0.678247 0.0324525 1.03726
C14 C 0.675566 -0.00123826 0.964402
C15 C 0.693104 0.0771676 0.911745
C16 C 0.731961 0.272918 0.875916
C17 C 0.700482 0.175819 1.13389
C18 C 0.654739 -0.117998 0.942632
C19 C 0.86219 -0.453366 1.05806
C20 C 0.879888 -0.456837 0.98759
C21 C 0.847132 -0.449866 0.928922
C22 C 0.796491 -0.439158 0.9418
C23 C 0.7781 -0.435509 1.01261
C24 C 0.811028 -0.442566 1.07022
C25 C 0.897484 -0.460788 1.11841
C26 C 0.86528 -0.453294 0.85414
C27 C 0.724653 -0.42406 1.02702
C28 C 0.907276 -0.0504494 1.23072
C29 C 0.871724 0.0392012 1.23872
C30 C 0.879275 0.153922 1.20914
C31 C 0.922805 0.177517 1.17147
C32 C 0.959018 0.087946 1.16294
C33 C 0.951014 -0.0253309 1.19256
C34 C 0.898267 -0.169817 1.26232
C35 C 0.841992 0.249611 1.21705
C36 C 1.0052 0.111508 1.12314
C37 C 0.786804 0.285658 0.708696
C38 C 0.748369 0.341289 0.759546
C39 C 0.964378 -0.377525 0.746788
C40 C 0.924223 -0.471158 0.762871
C41 C 1.05412 0.275966 0.983092
C42 C 1.0625 0.226634 1.05925
C43 C 0.716638 0.299851 1.23247
C44 C 0.76853 0.33672 1.25767
C45 C 0.616591 -0.303843 0.95987
C46 C 0.640808 -0.41118 0.997794
C47 C 0.92188 -0.471098 1.23881
C48 C 0.917074 -0.367821 1.29299

#END

data_frm_0010
_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                   11.4289
_cell_length_b                   18.7749
_cell_length_c                   26.7027
_cell_angle_alpha                90
_cell_angle_beta                 85.9465
_cell_angle_gamma                90
_cell_volume                     5715.44
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.217918 0.0204761 0.33549
N2 N 0.656069 -0.147646 0.222139
N3 N 0.709567 -0.00731189 0.441277
N4 N 0.00519907 -0.0690274 0.363213
N5 N 0.0291617 -0.256081 0.566349
N6 N -0.00145305 -0.414017 0.351719
N7 N 0.676249 -0.509843 0.414331
N8 N 0.675675 -0.307204 0.217646
N9 N 0.205486 -0.480475 0.293716
N10 N 0.712681 -0.434259 0.511228
N11 N 0.25071 -0.281811 0.617925
N12 N 0.698079 -0.0908671 0.537418
H1 H 0.0046108 -0.322367 0.307594
H2 H 0.0270723 -0.159883 0.496975
H3 H 0.00559549 -0.202697 0.339217
H4 H 0.537429 0.029032 0.452962
H5 H 0.390957 0.0210798 0.393083
H6 H 0.457939 -0.0899441 0.252611
H7 H 0.729526 -0.0740723 0.356221
H8 H 0.266612 -0.0403488 0.272088
H9 H 0.769888 -0.138839 0.279476
H10 H 0.499364 -0.320627 0.204667
H11 H 0.270951 -0.525174 0.357504
H12 H 0.717279 -0.377031 0.298104
H13 H 0.468943 -0.513069 0.380991
H14 H 0.0167973 -0.376712 0.444181
H15 H 0.0335645 -0.355883 0.532061
H16 H 0.0256507 -0.0611422 0.439952
H17 H 0.366077 -0.399375 0.250872
H18 H 0.777627 -0.436853 0.37143
H19 H 0.40943 -0.365661 0.57652
H20 H 0.499207 -0.142535 0.572997
H21 H 0.746665 -0.297885 0.510921
H22 H 0.542067 -0.454033 0.540764
H23 H 0.308406 -0.177139 0.608054
H24 H 0.799241 -0.174217 0.506153
H25 H 0.0880143 0.00472865 0.282428
H26 H 0.0904295 0.0895695 0.312536
H27 H 0.0186556 0.0360642 0.393633
H28 H -0.0790188 0.0244128 0.344954
H29 H 0.824749 -0.197033 0.209749
H30 H 0.764753 -0.156368 0.156798
H31 H 0.611556 -0.249523 0.155935
H32 H 0.757755 -0.283409 0.147796
H33 H 0.662981 0.0448996 0.511236
H34 H 0.807269 0.0605215 0.483333
H35 H 0.864947 -0.0635199 0.500698
H36 H 0.818809 -0.014246 0.555783
H37 H 0.0427139 -0.346812 0.614346
H38 H -0.0446736 -0.274065 0.638518
H39 H 0.13216 -0.199231 0.644118
H40 H 0.133394 -0.278714 0.680868
H41 H -0.0906048 -0.488276 0.311177
H42 H -0.0035263 -0.428562 0.272129
H43 H 0.0877068 -0.54545 0.34007
H44 H 0.0766536 -0.550907 0.273817
H45 H 0.850444 -0.490373 0.435979
H46 H 0.796439 -0.5794 0.442502
H47 H 0.654791 -0.542878 0.512152
H48 H 0.804372 -0.527143 0.52418
C1 C 0.410917 -0.0323754 0.321591
C2 C 0.486636 -0.0710436 0.288316
C3 C 0.602261 -0.0864719 0.300303
C4 C 0.640803 -0.0628028 0.34599
C5 C 0.56542 -0.0237741 0.379944
C6 C 0.451087 -0.00884601 0.367552
C7 C 0.290237 -0.0171118 0.307992
C8 C 0.683286 -0.12726 0.265518
C9 C 0.604901 0.00148517 0.428426
C10 C 0.0160897 -0.172776 0.416691
C11 C 0.0222052 -0.197165 0.465918
C12 C 0.0224477 -0.270814 0.476471
C13 C 0.0165411 -0.319566 0.437115
C14 C 0.010303 -0.295762 0.387257
C15 C 0.0102278 -0.22258 0.377349
C16 C 0.016154 -0.0952685 0.406824
C17 C 0.0290459 -0.297415 0.528334
C18 C 0.00426439 -0.346649 0.345245
C19 C 0.602707 -0.447462 0.343549
C20 C 0.63023 -0.400638 0.303692
C21 C 0.545624 -0.382787 0.269784
C22 C 0.433234 -0.412328 0.276395
C23 C 0.404199 -0.459631 0.316432
C24 C 0.488995 -0.476842 0.349729
C25 C 0.693302 -0.465073 0.378467
C26 C 0.573353 -0.333326 0.227515
C27 C 0.285662 -0.491196 0.323913
C28 C 0.582272 -0.339999 0.54237
C29 C 0.472669 -0.323785 0.566274
C30 C 0.441346 -0.25261 0.577661
C31 C 0.521101 -0.198026 0.56475
C32 C 0.632002 -0.213547 0.540596
C33 C 0.661788 -0.284344 0.529563
C34 C 0.612477 -0.415118 0.53093
C35 C 0.325729 -0.234599 0.602861
C36 C 0.717168 -0.156384 0.526636
C37 C 0.101738 0.0320117 0.318172
C38 C 0.00606376 0.00798976 0.358098
C39 C 0.742862 -0.187387 0.191149
C40 C 0.69269 -0.259284 0.175038
C41 C 0.738297 0.0199445 0.489785
C42 C 0.788406 -0.0394039 0.521821
C43 C 0.0357621 -0.288153 0.615581
C44 C 0.139984 -0.257855 0.64227
C45 C -0.007109 -0.458936 0.307621
C46 C 0.0924095 -0.514388 0.304874
C47 C 0.771778 -0.522915 0.4462
C48 C 0.732521 -0.509628 0.501752

#END

data_frm_0011
_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                   13.4631
_cell_length_b                   11.2063
_cell_length_c                   37.676
_cell_angle_alpha                90
_cell_angle_beta                 94.483
_cell_angle_gamma                90
_cell_volume                     5666.85
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.872993 0.368432 0.257899
N2 N 0.467818 0.367895 0.152795
N3 N 0.612162 0.852971 0.235369
N4 N 1.06133 0.320543 0.222482
N5 N 1.24373 0.774867 0.143114
N6 N 1.08841 0.312381 0.0513885
N7 N 0.659692 0.807033 -0.0137612
N8 N 0.464555 0.377787 0.0729884
N9 N 0.891837 0.301911 0.00785038
N10 N 0.712924 1.02748 0.0290269
N11 N 1.13095 1.00225 0.12671
N12 N 0.714669 1.05573 0.201019
H1 H 1.03577 0.216702 0.0934861
H2 H 1.17395 0.62107 0.185988
H3 H 1.05213 0.277484 0.154763
H4 H 0.744676 0.785194 0.259738
H5 H 0.798473 0.581582 0.256489
H6 H 0.634112 0.325073 0.18984
H7 H 0.527611 0.686811 0.195922
H8 H 0.786356 0.262983 0.221926
H9 H 0.435472 0.548902 0.157349
H10 H 0.58268 0.258337 0.0712108
H11 H 0.905556 0.47424 -0.0120274
H12 H 0.513005 0.574395 0.0426039
H13 H 0.781173 0.627476 -0.0108791
H14 H 1.15454 0.516034 0.0755488
H15 H 1.21918 0.710136 0.0913019
H16 H 1.11453 0.493684 0.230951
H17 H 0.7287 0.290805 0.0397742
H18 H 0.54044 0.765128 0.0160847
H19 H 0.986039 1.00265 0.0772675
H20 H 0.896401 1.02962 0.184382
H21 H 0.675022 1.03689 0.0953043
H22 H 0.86564 1.00158 0.0268274
H23 H 1.07018 1.00566 0.175888
H24 H 0.620752 1.04734 0.154388
H25 H 0.92155 0.188441 0.250716
H26 H 0.938789 0.248739 0.294626
H27 H 1.0689 0.386141 0.276056
H28 H 1.09752 0.232164 0.270151
H29 H 0.338434 0.433113 0.122046
H30 H 0.330821 0.286888 0.140479
H31 H 0.450495 0.209842 0.0993708
H32 H 0.339829 0.27137 0.0773061
H33 H 0.703956 0.97396 0.267476
H34 H 0.572287 0.989714 0.268591
H35 H 0.557528 1.06397 0.206592
H36 H 0.635921 1.1538 0.23621
H37 H 1.28547 0.889032 0.101103
H38 H 1.36399 0.890218 0.141554
H39 H 1.23306 0.99078 0.173171
H40 H 1.27262 1.07397 0.136352
H41 H 1.12403 0.183742 0.0148257
H42 H 1.01989 0.143236 0.0388414
H43 H 1.02538 0.342069 -0.017263
H44 H 0.974513 0.195975 -0.0241211
H45 H 0.550311 0.943446 -0.008332
H46 H 0.603918 0.933993 -0.0501323
H47 H 0.766197 1.00521 -0.0227106
H48 H 0.666471 1.10847 -0.0189872
C1 C 0.724839 0.443433 0.224544
C2 C 0.643452 0.41485 0.20069
C3 C 0.571392 0.501957 0.19012
C4 C 0.582044 0.617812 0.203679
C5 C 0.663774 0.647999 0.227741
C6 C 0.73457 0.560737 0.238005
C7 C 0.799158 0.350263 0.235084
C8 C 0.484978 0.473089 0.164941
C9 C 0.67609 0.770177 0.242256
C10 C 1.11115 0.445665 0.174495
C11 C 1.15316 0.554734 0.165606
C12 C 1.1694 0.581471 0.129917
C13 C 1.14299 0.497649 0.103319
C14 C 1.10058 0.387224 0.111887
C15 C 1.08484 0.361965 0.147385
C16 C 1.09495 0.420328 0.212129
C17 C 1.21362 0.696504 0.120095
C18 C 1.07209 0.297796 0.0840646
C19 C 0.643905 0.614602 0.0146302
C20 C 0.583679 0.541836 0.0341606
C21 C 0.613246 0.42438 0.043417
C22 C 0.70388 0.381004 0.0329322
C23 C 0.765413 0.45341 0.0132277
C24 C 0.735097 0.569624 0.00424209
C25 C 0.610872 0.737339 0.00536478
C26 C 0.550451 0.346446 0.0640743
C27 C 0.861495 0.408757 0.00199884
C28 C 0.827023 1.0196 0.0819894
C29 C 0.926816 1.01178 0.0952015
C30 C 0.953133 1.01538 0.132182
C31 C 0.87828 1.02679 0.155686
C32 C 0.777252 1.03474 0.14275
C33 C 0.752312 1.03103 0.106034
C34 C 0.801817 1.01549 0.0430982
C35 C 1.05831 1.00703 0.14657
C36 C 0.69726 1.04664 0.167276
C37 C 0.941044 0.26995 0.266203
C38 C 1.04885 0.305726 0.260166
C39 C 0.380525 0.350054 0.128208
C40 C 0.409409 0.293601 0.0932058
C41 C 0.63217 0.969467 0.251222
C42 C 0.62998 1.06716 0.222442
C43 C 1.28612 0.884643 0.130409
C44 C 1.23123 0.994333 0.143808
C45 C 1.05722 0.218413 0.0263658
C46 C 0.987453 0.268066 -0.0044735
C47 C 0.619886 0.925639 -0.0211555
C48 C 0.697074 1.02211 -0.0095155

#END

data_frm_0012
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P 1'
_symmetry_Int_Tables_number      1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
_cell_length_a                   10.8808
_cell_length_b                   13.0171
_cell_length_c                   13.0227
_cell_angle_alpha                112.61
_cell_angle_beta                 106.204
_cell_angle_gamma                106.107
_cell_volume                     1473.07
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.582448 0.808226 0.499512
N2 N 1.02647 0.583076 0.633436
N3 N 1.25722 1.13319 0.704635
N4 N 0.422646 0.84615 0.654791
N5 N 0.767435 1.34503 1.19145
N6 N 0.575829 0.808618 1.15357
N7 N 1.44294 1.05029 1.41684
N8 N 1.12333 0.570741 0.866539
N9 N 0.774105 0.691611 1.19191
N10 N 1.55233 1.29556 1.42896
N11 N 1.08245 1.50077 1.30848
N12 N 1.39265 1.36641 0.94982
H1 H 0.487773 0.702986 0.961713
H2 H 0.640204 1.17625 0.960435
H3 H 0.463697 0.783878 0.823541
H4 H 1.06142 1.14004 0.654743
H5 H 0.837209 0.972981 0.581964
H6 H 0.811929 0.633254 0.57389
H7 H 1.21889 0.924761 0.697781
H8 H 0.596847 0.657076 0.512937
H9 H 1.21131 0.739568 0.699741
H10 H 0.920652 0.515122 0.859355
H11 H 0.939436 0.856273 1.34307
H12 H 1.29329 0.772726 1.07475
H13 H 1.17836 0.940633 1.36684
H14 H 0.679395 1.03962 1.21596
H15 H 0.784554 1.25877 1.29702
H16 H 0.526068 1.03803 0.741262
H17 H 0.863752 0.609337 1.02684
H18 H 1.47108 0.959841 1.26016
H19 H 1.25445 1.41782 1.39075
H20 H 1.23786 1.42644 1.05955
H21 H 1.5211 1.30259 1.22758
H22 H 1.40609 1.34521 1.48528
H23 H 1.08283 1.48664 1.14368
H24 H 1.51192 1.30081 1.04063
H25 H 0.388017 0.659962 0.447962
H26 H 0.381334 0.736462 0.359809
H27 H 0.418356 0.925367 0.537553
H28 H 0.262372 0.792281 0.487428
H29 H 1.22422 0.573725 0.701643
H30 H 1.07894 0.436365 0.570508
H31 H 0.955258 0.41169 0.698762
H32 H 1.12505 0.410185 0.747878
H33 H 1.25673 1.30057 0.71243
H34 H 1.37772 1.25135 0.662742
H35 H 1.523 1.29875 0.872917
H36 H 1.50805 1.4295 0.866322
H37 H 0.881009 1.46284 1.38803
H38 H 0.77448 1.51254 1.30491
H39 H 0.938738 1.55156 1.21137
H40 H 1.02062 1.64031 1.37624
H41 H 0.469697 0.695196 1.20747
H42 H 0.492928 0.611993 1.07453
H43 H 0.727607 0.788582 1.34002
H44 H 0.644945 0.623822 1.26375
H45 H 1.64982 1.12715 1.42587
H46 H 1.64198 1.13391 1.56338
H47 H 1.54383 1.28755 1.58832
H48 H 1.71471 1.33735 1.58925
C1 C 0.807172 0.798291 0.572455
C2 C 0.873625 0.72544 0.592614
C3 C 1.02254 0.769912 0.637812
C4 C 1.10377 0.888086 0.662647
C5 C 1.03826 0.962671 0.642825
C6 C 0.890575 0.917365 0.597941
C7 C 0.650968 0.749189 0.525159
C8 C 1.09427 0.694007 0.65956
C9 C 1.1228 1.08789 0.668885
C10 C 0.545855 0.976765 0.877516
C11 C 0.619234 1.09822 0.97641
C12 C 0.668138 1.12245 1.09942
C13 C 0.642625 1.02359 1.12193
C14 C 0.568709 0.900565 1.0231
C15 C 0.520923 0.877918 0.901606
C16 C 0.496107 0.954358 0.749639
C17 C 0.746082 1.2504 1.20496
C18 C 0.541171 0.795064 1.04542
C19 C 1.25207 0.867738 1.23002
C20 C 1.21499 0.774379 1.11162
C21 C 1.07497 0.680106 1.03703
C22 C 0.972752 0.680778 1.08249
C23 C 1.0086 0.774387 1.20173
C24 C 1.14784 0.867194 1.27462
C25 C 1.39972 0.965314 1.30591
C26 C 1.03414 0.580875 0.911664
C27 C 0.901547 0.776334 1.25093
C28 C 1.39509 1.35725 1.31996
C29 C 1.29208 1.40199 1.31932
C30 C 1.23425 1.42759 1.2258
C31 C 1.28082 1.40767 1.13308
C32 C 1.38466 1.36252 1.13247
C33 C 1.44098 1.33758 1.22578
C34 C 1.45359 1.33125 1.41921
C35 C 1.12511 1.47475 1.22376
C36 C 1.43477 1.34081 1.03493
C37 C 0.428976 0.750469 0.453334
C38 C 0.379273 0.835521 0.533693
C39 C 1.10824 0.517315 0.658781
C40 C 1.07104 0.469249 0.742394
C41 C 1.32891 1.25712 0.727095
C42 C 1.44953 1.3412 0.859003
C43 C 0.845216 1.46638 1.30183
C44 C 0.974807 1.54664 1.29681
C45 C 0.543417 0.698196 1.1644
C46 C 0.678329 0.70327 1.24958
C47 C 1.59041 1.14111 1.48244
C48 C 1.60165 1.27303 1.53043

#END

data_frm_0013
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   14.5649
_cell_length_b                   13.3893
_cell_length_c                   15.7962
_cell_angle_alpha                80.4308
_cell_angle_beta                 72.6706
_cell_angle_gamma                73.3773
_cell_volume                     2806.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.0583968 0.300539 0.124872
N2 N 0.379144 -0.122289 -0.022385
N3 N -0.00825511 0.0717698 -0.175235
N4 N 0.135826 0.49321 0.0855277
N5 N 0.157866 0.725147 -0.311862
N6 N 0.56221 0.521714 -0.186067
N7 N 0.62274 0.118651 -0.55164
N8 N 0.575793 -0.124381 -0.156089
N9 N 0.702592 0.315603 -0.239701
N10 N 0.435317 0.193902 -0.612005
N11 N 0.139803 0.627885 -0.462587
N12 N -0.00408375 0.197328 -0.35198
H1 H 0.496178 0.45786 -0.0608644
H2 H 0.111547 0.638152 -0.151195
H3 H 0.32062 0.480084 0.00189489
H4 H -0.0656799 0.203996 -0.104218
H5 H 0.00208155 0.241875 0.00440336
H6 H 0.276949 0.0474064 0.0529348
H7 H 0.157369 -0.0313208 -0.138966
H8 H 0.195555 0.200708 0.13205
H9 H 0.31252 -0.139809 -0.117072
H10 H 0.602849 -0.0116978 -0.0967102
H11 H 0.693311 0.345567 -0.371083
H12 H 0.579771 -0.0558811 -0.320078
H13 H 0.657568 0.229404 -0.450516
H14 H 0.425047 0.609011 -0.267416
H15 H 0.31227 0.693956 -0.356726
H16 H 0.0498109 0.564342 -0.0028638
H17 H 0.649791 0.143973 -0.173467
H18 H 0.579069 -0.0098892 -0.473421
H19 H 0.283942 0.476776 -0.534631
H20 H 0.0201342 0.384955 -0.373288
H21 H 0.271991 0.154775 -0.508934
H22 H 0.427552 0.351148 -0.608722
H23 H 0.024449 0.564412 -0.382332
H24 H 0.128634 0.0986961 -0.417151
H25 H 0.128911 0.335112 0.213923
H26 H -0.00322941 0.358309 0.249021
H27 H -0.0208505 0.506728 0.133621
H28 H 0.0407285 0.522809 0.210854
H29 H 0.45292 -0.251444 -0.102354
H30 H 0.45628 -0.272671 0.0114474
H31 H 0.567398 -0.154333 -0.0167415
H32 H 0.618016 -0.264307 -0.0816182
H33 H -0.141607 0.178407 -0.1978
H34 H -0.130789 0.0422423 -0.198118
H35 H 0.00171326 0.0338491 -0.339496
H36 H -0.113214 0.123684 -0.347498
H37 H 0.21913 0.779273 -0.446962
H38 H 0.106431 0.861204 -0.386772
H39 H 0.0128933 0.733285 -0.386734
H40 H 0.0717285 0.782319 -0.495624
H41 H 0.691048 0.547544 -0.172983
H42 H 0.659309 0.434952 -0.105718
H43 H 0.732998 0.458899 -0.310067
H44 H 0.805713 0.39263 -0.234711
H45 H 0.579714 0.0166225 -0.615337
H46 H 0.679629 0.0720167 -0.679881
H47 H 0.564366 0.247838 -0.685165
H48 H 0.535164 0.152922 -0.733105
C1 C 0.138133 0.152672 0.0361034
C2 C 0.218814 0.0651914 0.0184423
C3 C 0.226736 -0.00219513 -0.0446759
C4 C 0.153009 0.0192906 -0.0898206
C5 C 0.0712069 0.107275 -0.0727544
C6 C 0.0643127 0.173332 -0.0100006
C7 C 0.131968 0.221878 0.102517
C8 C 0.31154 -0.094954 -0.06404
C9 C -0.00721012 0.131076 -0.120094
C10 C 0.207251 0.556799 -0.0658727
C11 C 0.187406 0.610561 -0.144854
C12 C 0.265435 0.63013 -0.21836
C13 C 0.363368 0.595145 -0.211665
C14 C 0.384538 0.540819 -0.132397
C15 C 0.306439 0.52192 -0.060079
C16 C 0.123899 0.537377 0.00995499
C17 C 0.245607 0.686755 -0.302368
C18 C 0.487717 0.503158 -0.124366
C19 C 0.61768 0.0846767 -0.394945
C20 C 0.601549 0.0150901 -0.318712
C21 C 0.613017 0.0353493 -0.238093
C22 C 0.640619 0.1262 -0.234849
C23 C 0.657113 0.197129 -0.311212
C24 C 0.64549 0.175964 -0.390658
C25 C 0.60498 0.0612618 -0.478422
C26 C 0.596137 -0.037401 -0.156955
C27 C 0.686218 0.293555 -0.308716
C28 C 0.289256 0.312113 -0.528399
C29 C 0.244554 0.415611 -0.50792
C30 C 0.147193 0.443233 -0.451977
C31 C 0.095394 0.365923 -0.416823
C32 C 0.139524 0.26114 -0.436854
C33 C 0.236068 0.234952 -0.492406
C34 C 0.391424 0.285622 -0.587211
C35 C 0.0989769 0.552301 -0.429611
C36 C 0.0857286 0.178503 -0.400061
C37 C 0.0604802 0.362732 0.191074
C38 C 0.0483275 0.478627 0.155213
C39 C 0.458966 -0.214981 -0.0470682
C40 C 0.560971 -0.189693 -0.0724632
C41 C -0.0892419 0.103087 -0.217569
C42 C -0.0493233 0.109752 -0.319655
C43 C 0.147262 0.779393 -0.397404
C44 C 0.0853478 0.731859 -0.435836
C45 C 0.660296 0.480786 -0.170798
C46 C 0.730906 0.412526 -0.245113
C47 C 0.607714 0.0877843 -0.629395
C48 C 0.535689 0.177065 -0.670022

#END

data_frm_0014
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'A 2/n'
_symmetry_Int_Tables_number      15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 x,1/2+y,1/2+z
3 1/2-x,y,1/2-z
4 1/2-x,1/2+y,-z
5 -x,-y,-z
6 -x,1/2-y,1/2-z
7 1/2+x,-y,1/2+z
8 1/2+x,1/2-y,z
_cell_length_a                   43.848
_cell_length_b                   10.957
_cell_length_c                   24.6578
_cell_angle_alpha                90
_cell_angle_beta                 103.247
_cell_angle_gamma                90
_cell_volume                     11531.4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.821941 0.869229 0.150373
N2 N 0.953874 0.868864 0.0736538
N3 N 0.822638 0.875384 -0.112364
N4 N 0.810105 1.0905 0.214537
N5 N 0.758901 1.56613 0.064764
N6 N 0.894106 1.58325 0.239531
N7 N 0.947691 1.58949 -0.0595568
N8 N 0.994388 1.09098 0.0759995
N9 N 0.955561 1.55959 0.206024
N10 N 0.887713 1.56893 -0.147214
N11 N 0.760391 1.59219 -0.0559466
N12 N 0.795197 1.09992 -0.174789
H1 H 0.894538 1.40229 0.265699
H2 H 0.769516 1.35484 0.112279
H3 H 0.852185 1.26034 0.237357
H4 H 0.793187 0.884837 -0.0570394
H5 H 0.810159 0.877313 0.042607
H6 H 0.908277 0.874229 0.124271
H7 H 0.880076 0.878853 -0.0551268
H8 H 0.870356 0.878033 0.180655
H9 H 0.93496 0.882068 -0.0117746
H10 H 0.987675 1.14866 0.152951
H11 H 0.941504 1.67156 0.136431
H12 H 0.976033 1.26379 0.00431258
H13 H 0.945499 1.62032 0.0436251
H14 H 0.843374 1.61918 0.163578
H15 H 0.79845 1.67482 0.0921944
H16 H 0.773764 1.1524 0.150421
H17 H 0.971787 1.35016 0.173025
H18 H 0.960449 1.40914 -0.0696874
H19 H 0.813605 1.62515 -0.0825505
H20 H 0.772194 1.27015 -0.123166
H21 H 0.859649 1.35997 -0.16545
H22 H 0.862821 1.67817 -0.103197
H23 H 0.746265 1.4126 -0.0749082
H24 H 0.838282 1.15946 -0.186972
H25 H 0.838958 0.875276 0.23907
H26 H 0.805444 0.782068 0.21271
H27 H 0.772785 0.96489 0.182937
H28 H 0.789704 0.960092 0.256031
H29 H 0.986325 0.878707 0.0206811
H30 H 0.996678 0.782214 0.0804508
H31 H 1.00461 0.961863 0.143043
H32 H 1.02946 0.960059 0.0948689
H33 H 0.773275 0.885276 -0.147895
H34 H 0.795965 0.791471 -0.182931
H35 H 0.821418 0.973319 -0.212442
H36 H 0.779825 0.971971 -0.237167
H37 H 0.758191 1.74402 0.0282749
H38 H 0.722136 1.68857 0.0408431
H39 H 0.718309 1.53362 -0.0334263
H40 H 0.719229 1.68708 -0.057498
H41 H 0.922298 1.6756 0.305996
H42 H 0.934986 1.52273 0.299022
H43 H 0.937843 1.73665 0.219544
H44 H 0.969505 1.6793 0.272341
H45 H 0.948718 1.53259 -0.142281
H46 H 0.961172 1.68485 -0.122914
H47 H 0.906971 1.74509 -0.121474
H48 H 0.911181 1.69086 -0.187679
C1 C 0.858108 0.875433 0.0894078
C2 C 0.889609 0.875221 0.0865343
C3 C 0.897916 0.876299 0.0345162
C4 C 0.874317 0.877788 -0.0144335
C5 C 0.842448 0.878085 -0.0122032
C6 C 0.834556 0.87693 0.03964
C7 C 0.850137 0.874415 0.144528
C8 C 0.931096 0.876072 0.030814
C9 C 0.81724 0.879866 -0.0636108
C10 C 0.809544 1.2938 0.175589
C11 C 0.792357 1.37846 0.138328
C12 C 0.804272 1.49662 0.133533
C13 C 0.833582 1.52868 0.166492
C14 C 0.851188 1.44425 0.204295
C15 C 0.839086 1.32739 0.208576
C16 C 0.796446 1.17065 0.17961
C17 C 0.786392 1.58708 0.0942462
C18 C 0.882237 1.47671 0.239337
C19 C 0.960286 1.44689 0.0175009
C20 C 0.970923 1.3294 0.0342359
C21 C 0.97525 1.29307 0.0903813
C22 C 0.968734 1.3758 0.129431
C23 C 0.957975 1.49463 0.113149
C24 C 0.953814 1.52934 0.0573552
C25 C 0.95597 1.48219 -0.0416701
C26 C 0.986447 1.16918 0.1087
C27 C 0.950961 1.58302 0.153982
C28 C 0.839533 1.50191 -0.124287
C29 C 0.814573 1.53506 -0.100788
C30 C 0.790012 1.45227 -0.100111
C31 C 0.790819 1.33606 -0.123188
C32 C 0.81586 1.30129 -0.147021
C33 C 0.840035 1.38433 -0.147392
C34 C 0.864928 1.5907 -0.124329
C35 C 0.763476 1.4859 -0.075349
C36 C 0.817064 1.17866 -0.171499
C37 C 0.817001 0.868466 0.20665
C38 C 0.794934 0.972743 0.21481
C39 C 0.985527 0.869359 0.0649501
C40 C 1.00513 0.972106 0.098684
C41 C 0.795986 0.877441 -0.159808
C42 C 0.798953 0.982392 -0.199795
C43 C 0.743511 1.66186 0.0276219
C44 C 0.733338 1.61485 -0.0326641
C45 C 0.9248 1.60476 0.275704
C46 C 0.947834 1.65361 0.24219
C47 C 0.944229 1.61359 -0.118554
C48 C 0.911299 1.66315 -0.144745

#END

data_frm_0015
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   13.012
_cell_length_b                   10.8887
_cell_length_c                   29.7905
_cell_angle_alpha                108.5
_cell_angle_beta                 117.991
_cell_angle_gamma                108.505
_cell_volume                     2935.8
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.620394 0.645071 0.150134
N2 N 0.212999 -0.0819995 0.0396471
N3 N 0.81548 0.363145 0.312358
N4 N 0.507299 0.841189 0.168302
N5 N 0.574709 1.08156 0.415338
N6 N -0.0445399 0.612395 0.149464
N7 N -0.00865381 0.0330902 0.270868
N8 N -0.038309 -0.207596 0.0334891
N9 N -0.224765 0.268697 0.092002
N10 N 0.279993 0.2263 0.392504
N11 N 0.649076 0.953626 0.493031
N12 N 0.852538 0.501458 0.427784
H1 H 0.0206239 0.581197 0.0972215
H2 H 0.602116 1.01374 0.331791
H3 H 0.259887 0.713319 0.137369
H4 H 0.872769 0.569173 0.315329
H5 H 0.7404 0.590229 0.232196
H6 H 0.332914 0.196671 0.0640266
H7 H 0.56719 0.14449 0.209128
H8 H 0.42202 0.443455 0.0753568
H9 H 0.338658 -0.0765885 0.117463
H10 H -0.100919 -0.0744457 0.00546129
H11 H -0.17562 0.298425 0.1737
H12 H -0.00150357 -0.139916 0.133585
H13 H -0.0943811 0.163679 0.216008
H14 H 0.175464 0.790727 0.263949
H15 H 0.361989 0.951693 0.372549
H16 H 0.654968 0.969922 0.263399
H17 H -0.156611 0.0881561 0.0517316
H18 H 0.0403777 -0.0969535 0.226385
H19 H 0.465567 0.675396 0.452311
H20 H 0.812864 0.722634 0.456962
H21 H 0.493157 0.27823 0.396166
H22 H 0.282045 0.429417 0.416634
H23 H 0.799445 0.945823 0.486255
H24 H 0.681064 0.296513 0.395505
H25 H 0.48969 0.658454 0.0763484
H26 H 0.672859 0.764816 0.1143
H27 H 0.72341 0.950325 0.20764
H28 H 0.610163 0.944128 0.141461
H29 H 0.134034 -0.294151 0.0354231
H30 H 0.0980775 -0.311328 -0.0327392
H31 H -0.0637236 -0.226676 -0.0454283
H32 H -0.113924 -0.400197 -0.0458129
H33 H 1.01224 0.569683 0.395179
H34 H 1.00373 0.391766 0.371182
H35 H 0.849258 0.293146 0.394726
H36 H 1.01571 0.469705 0.459401
H37 H 0.519869 1.10212 0.473655
H38 H 0.664216 1.27434 0.498094
H39 H 0.808624 1.16496 0.517932
H40 H 0.750227 1.1831 0.561849
H41 H -0.239082 0.574605 0.0929937
H42 H -0.20537 0.456961 0.0520542
H43 H -0.257287 0.425538 0.139677
H44 H -0.381965 0.309022 0.0580432
H45 H 0.0780902 -0.0781802 0.309405
H46 H -0.0535913 -0.0703998 0.312551
H47 H 0.107987 0.215152 0.38831
H48 H 0.169561 0.10677 0.413376
C1 C 0.536147 0.405107 0.145678
C2 C 0.427182 0.247992 0.109772
C3 C 0.436991 0.152158 0.13209
C4 C 0.557004 0.215754 0.190742
C5 C 0.667758 0.374061 0.227507
C6 C 0.656627 0.46762 0.204781
C7 C 0.522745 0.502594 0.121059
C8 C 0.32272 -0.0140721 0.0946837
C9 C 0.795182 0.442978 0.28965
C10 C 0.441629 0.86641 0.232953
C11 C 0.490238 0.937341 0.29311
C12 C 0.395204 0.911183 0.305059
C13 C 0.251163 0.813182 0.256051
C14 C 0.200549 0.740839 0.19511
C15 C 0.296002 0.767756 0.18394
C16 C 0.543834 0.895947 0.221904
C17 C 0.44505 0.985195 0.368438
C18 C 0.0485725 0.63668 0.142805
C19 C -0.0436552 0.0088356 0.180306
C20 C -0.0377192 -0.0623239 0.134164
C21 C -0.0784631 -0.035 0.0872598
C22 C -0.124836 0.0646303 0.0872795
C23 C -0.131334 0.137261 0.133535
C24 C -0.0906696 0.109001 0.179711
C25 C -0.000136566 -0.0220765 0.228855
C26 C -0.0726504 -0.109234 0.0382229
C27 C -0.180007 0.243029 0.134173
C28 C 0.464829 0.465239 0.422781
C29 C 0.519228 0.622816 0.444665
C30 C 0.645112 0.717526 0.4573
C31 C 0.715515 0.65233 0.447687
C32 C 0.661894 0.493492 0.425606
C33 C 0.537011 0.401091 0.413276
C34 C 0.33261 0.369004 0.409931
C35 C 0.703858 0.88429 0.480378
C36 C 0.735058 0.422853 0.415109
C37 C 0.59529 0.72909 0.121224
C38 C 0.617082 0.878518 0.163092
C39 C 0.107562 -0.245922 0.0072758
C40 C -0.0366289 -0.273334 -0.0167103
C41 C 0.944854 0.443481 0.373835
C42 C 0.914631 0.419369 0.415573
C43 C 0.611566 1.14729 0.475434
C44 C 0.716026 1.11787 0.51548
C45 C -0.190896 0.507691 0.0947271
C46 C -0.27008 0.374739 0.0974564
C47 C 0.0370766 -0.00535616 0.316095
C48 C 0.149676 0.143317 0.381339

#END

data_frm_0016
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   10.8899
_cell_length_b                   13.0841
_cell_length_c                   22.9261
_cell_angle_alpha                105.39
_cell_angle_beta                 93.6581
_cell_angle_gamma                109.195
_cell_volume                     2933.17
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.824535 0.295804 0.403779
N2 N 1.24528 0.233898 0.222231
N3 N 1.24249 0.0661732 0.46431
N4 N 0.539963 0.163486 0.348012
N5 N 0.330822 -0.367373 0.336397
N6 N 0.344035 -0.229126 0.0847706
N7 N 0.939439 -0.488542 0.0737979
N8 N 1.17721 0.0493797 0.101706
N9 N 0.55291 -0.23622 0.00585533
N10 N 0.958914 -0.547566 0.191279
N11 N 0.509193 -0.492451 0.356312
N12 N 1.12312 -0.177433 0.461801
H1 H 0.429954 -0.0539527 0.125492
H2 H 0.426831 -0.148095 0.36452
H3 H 0.479293 0.0406288 0.23395
H4 H 1.08084 0.104719 0.493173
H5 H 0.964819 0.196624 0.445453
H6 H 1.05759 0.271457 0.277797
H7 H 1.27799 0.1136 0.362502
H8 H 0.879094 0.315461 0.320747
H9 H 1.33016 0.149297 0.267978
H10 H 0.998404 0.066229 0.0781734
H11 H 0.554135 -0.390578 0.0144144
H12 H 1.12944 -0.158244 0.101264
H13 H 0.747663 -0.426495 0.0441882
H14 H 0.325996 -0.325615 0.170536
H15 H 0.299938 -0.434711 0.241173
H16 H 0.517245 0.0555259 0.402241
H17 H 0.789161 -0.0871616 0.0443591
H18 H 1.1109 -0.344592 0.104395
H19 H 0.648767 -0.541671 0.273309
H20 H 0.869244 -0.27765 0.439411
H21 H 1.07127 -0.387405 0.293286
H22 H 0.755699 -0.602835 0.189659
H23 H 0.633607 -0.357365 0.429606
H24 H 1.19811 -0.237029 0.383685
H25 H 0.716667 0.366905 0.35504
H26 H 0.748589 0.422244 0.436765
H27 H 0.594439 0.241611 0.445296
H28 H 0.518923 0.308527 0.403328
H29 H 1.39643 0.181158 0.183153
H30 H 1.3917 0.313953 0.178506
H31 H 1.18342 0.215924 0.104093
H32 H 1.3179 0.17692 0.0784559
H33 H 1.18108 0.0262303 0.545112
H34 H 1.35414 0.0760706 0.543837
H35 H 1.33133 -0.102035 0.464435
H36 H 1.27801 -0.123065 0.533827
H37 H 0.262943 -0.54877 0.29939
H38 H 0.20036 -0.492123 0.365657
H39 H 0.419269 -0.424823 0.430154
H40 H 0.352305 -0.57494 0.39411
H41 H 0.236463 -0.249604 0.00169169
H42 H 0.383424 -0.126171 0.0244062
H43 H 0.367178 -0.374612 -0.017176
H44 H 0.39427 -0.280296 -0.0627838
H45 H 1.11412 -0.511142 0.107127
H46 H 1.00446 -0.622841 0.0434786
H47 H 0.837641 -0.673836 0.109478
H48 H 0.991179 -0.684507 0.133287
C1 C 0.999397 0.239396 0.361946
C2 C 1.0752 0.237913 0.314933
C3 C 1.17649 0.192775 0.314555
C4 C 1.20059 0.149107 0.361732
C5 C 1.1249 0.149966 0.409453
C6 C 1.0249 0.195027 0.40925
C7 C 0.893871 0.287141 0.361051
C8 C 1.25743 0.190648 0.265186
C9 C 1.14911 0.103903 0.459586
C10 C 0.458542 -0.0414633 0.304667
C11 C 0.420089 -0.145223 0.317396
C12 C 0.371811 -0.24878 0.269344
C13 C 0.362675 -0.246963 0.208517
C14 C 0.401069 -0.142936 0.194966
C15 C 0.44883 -0.0409136 0.243075
C16 C 0.508888 0.0656289 0.356015
C17 C 0.330958 -0.359179 0.282088
C18 C 0.392232 -0.139633 0.130893
C19 C 0.944435 -0.301987 0.0737281
C20 C 1.024 -0.18821 0.084526
C21 C 0.969339 -0.109459 0.0740251
C22 C 0.834107 -0.146131 0.0527234
C23 C 0.752624 -0.260645 0.0416416
C24 C 0.808228 -0.337728 0.0522375
C25 C 1.0047 -0.382444 0.0852184
C26 C 1.05212 0.0110842 0.0852742
C27 C 0.609437 -0.300574 0.0191873
C28 C 0.86047 -0.472612 0.276496
C29 C 0.743306 -0.481146 0.299973
C30 C 0.744851 -0.411293 0.358863
C31 C 0.865082 -0.33286 0.393807
C32 C 0.984125 -0.323224 0.370726
C33 C 0.981021 -0.393043 0.312276
C34 C 0.85559 -0.546982 0.214595
C35 C 0.621764 -0.419207 0.384291
C36 C 1.11199 -0.240557 0.407101
C37 C 0.723797 0.344396 0.397944
C38 C 0.587869 0.262764 0.401971
C39 C 1.33029 0.226844 0.176179
C40 C 1.24844 0.169395 0.111269
C41 C 1.25688 0.0232421 0.515607
C42 C 1.25402 -0.0994503 0.49308
C43 C 0.288481 -0.480311 0.343452
C44 C 0.395007 -0.492383 0.385768
C45 C 0.340284 -0.215602 0.0238461
C46 C 0.411647 -0.2849 -0.0158868
C47 C 1.00921 -0.559375 0.0868933
C48 C 0.942115 -0.62443 0.130091

#END

data_frm_0017
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   13.1244
_cell_length_b                   19.4645
_cell_length_c                   11.192
_cell_angle_alpha                94.5936
_cell_angle_beta                 91.1031
_cell_angle_gamma                90.3418
_cell_volume                     2849.31
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.199403 0.42822 0.493632
N2 N 0.625831 0.262113 0.45348
N3 N 0.198169 0.0940178 0.461106
N4 N 0.14815 0.511516 0.286191
N5 N -0.048819 0.338553 -0.182155
N6 N 0.390127 0.489814 -0.215063
N7 N 0.559781 0.0819224 -0.264478
N8 N 0.743375 0.239625 0.225988
N9 N 0.590234 0.415738 -0.210523
N10 N 0.365748 0.00220944 -0.238174
N11 N -0.0470312 0.183938 -0.220149
N12 N 0.0946879 0.0245813 0.241655
H1 H 0.403006 0.526401 -0.0352181
H2 H -0.000806274 0.397548 0.0270107
H3 H 0.274232 0.515249 0.111575
H4 H 0.102862 0.179438 0.464715
H5 H 0.159447 0.297327 0.477843
H6 H 0.478409 0.350037 0.46464
H7 H 0.384682 0.136764 0.449149
H8 H 0.356019 0.441311 0.475995
H9 H 0.562771 0.163186 0.43669
H10 H 0.718975 0.339723 0.178832
H11 H 0.536976 0.332445 -0.32372
H12 H 0.672404 0.154719 0.0540332
H13 H 0.551978 0.213507 -0.283809
H14 H 0.222669 0.419046 -0.24524
H15 H 0.0729105 0.350663 -0.295748
H16 H 0.0258802 0.447776 0.22815
H17 H 0.655326 0.369517 -0.0126486
H18 H 0.612113 0.0659642 -0.0919404
H19 H 0.123003 0.121797 -0.268352
H20 H 0.010307 0.098762 0.0857455
H21 H 0.287507 -0.00222429 -0.0282574
H22 H 0.278901 0.0689114 -0.334624
H23 H -0.0819045 0.170743 -0.0425514
H24 H 0.230443 -0.0144868 0.171368
H25 H 0.255192 0.531902 0.492362
H26 H 0.152081 0.517709 0.589389
H27 H 0.0346674 0.493275 0.415389
H28 H 0.0906219 0.577408 0.423209
H29 H 0.729726 0.177741 0.430455
H30 H 0.769891 0.25018 0.528409
H31 H 0.785233 0.322005 0.356681
H32 H 0.86528 0.247922 0.347427
H33 H 0.03726 0.0743945 0.460127
H34 H 0.116136 0.0199251 0.542891
H35 H 0.186989 -0.0343887 0.355418
H36 H 0.0520601 -0.0441101 0.364606
H37 H -0.062526 0.289067 -0.359941
H38 H -0.175731 0.324883 -0.295384
H39 H -0.179449 0.235601 -0.150032
H40 H -0.186207 0.201518 -0.303051
H41 H 0.47652 0.557744 -0.305902
H42 H 0.526965 0.545288 -0.159961
H43 H 0.5221 0.438633 -0.378257
H44 H 0.628798 0.490347 -0.324645
H45 H 0.565648 -0.0225678 -0.217259
H46 H 0.596804 -0.00745397 -0.367611
H47 H 0.41753 0.0213916 -0.413011
H48 H 0.433758 -0.0638143 -0.367559
C1 C 0.31545 0.331846 0.472442
C2 C 0.417424 0.311801 0.464532
C3 C 0.443671 0.241386 0.4562
C4 C 0.366569 0.191461 0.455708
C5 C 0.263345 0.210889 0.463573
C6 C 0.238478 0.280859 0.471854
C7 C 0.290347 0.406018 0.480947
C8 C 0.551098 0.219424 0.447794
C9 C 0.180998 0.158667 0.462939
C10 C 0.133337 0.458334 0.0832172
C11 C 0.0720005 0.418277 0.000797302
C12 C 0.103261 0.403656 -0.118437
C13 C 0.196593 0.429626 -0.153839
C14 C 0.259276 0.470137 -0.071702
C15 C 0.22734 0.484184 0.0462399
C16 C 0.0985518 0.472689 0.207555
C17 C 0.0392794 0.36128 -0.206558
C18 C 0.358239 0.497854 -0.107729
C19 C 0.610276 0.176051 -0.120155
C20 C 0.652175 0.194093 -0.00598842
C21 C 0.669095 0.26387 0.03415
C22 C 0.643332 0.315223 -0.0413847
C23 C 0.600982 0.297796 -0.156767
C24 C 0.584697 0.228412 -0.195343
C25 C 0.593409 0.102449 -0.159594
C26 C 0.713217 0.283752 0.154611
C27 C 0.573271 0.351569 -0.23754
C28 C 0.214086 0.0577287 -0.158225
C29 C 0.131467 0.0999099 -0.182136
C30 C 0.0570457 0.115188 -0.0948372
C31 C 0.0665661 0.0877496 0.0165213
C32 C 0.149528 0.0451265 0.0419781
C33 C 0.22268 0.0304432 -0.0454412
C34 C 0.290867 0.0427004 -0.251559
C35 C -0.0306734 0.159776 -0.118716
C36 C 0.160698 0.0158369 0.159392
C37 C 0.184094 0.502291 0.501255
C38 C 0.106293 0.522071 0.405381
C39 C 0.728228 0.234571 0.44425
C40 C 0.785765 0.2652 0.342058
C41 C 0.111158 0.0475945 0.460977
C42 C 0.113809 -0.0067994 0.35339
C43 C -0.104992 0.297491 -0.275849
C44 C -0.135767 0.227141 -0.233292
C45 C 0.488653 0.51936 -0.240143
C46 C 0.559824 0.463852 -0.297102
C47 C 0.546373 0.00830611 -0.293131
C48 C 0.43634 -0.00880018 -0.336138

#END

data_frm_0018
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21'
_symmetry_Int_Tables_number      4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z
_cell_length_a                   17.3191
_cell_length_b                   11.0065
_cell_length_c                   17.3195
_cell_angle_alpha                90
_cell_angle_beta                 119.972
_cell_angle_gamma                90
_cell_volume                     2859.97
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.532748 0.692393 0.602614
N2 N 0.642081 1.18468 0.839891
N3 N 0.903644 0.715768 0.979718
N4 N 0.520441 0.71629 0.423978
N5 N 0.897393 0.693199 0.429773
N6 N 0.660009 1.1853 0.301986
N7 N 1.08266 1.40652 0.78219
N8 N 0.717544 1.4065 0.800292
N9 N 0.699533 1.40679 0.417241
N10 N 1.19761 1.18472 0.857874
N11 N 1.07599 0.715841 0.596296
N12 N 1.06993 0.69221 0.96739
H1 H 0.559576 1.12598 0.325888
H2 H 0.756459 0.660078 0.442959
H3 H 0.548794 0.925365 0.374066
H4 H 0.828921 0.60622 0.868545
H5 H 0.68666 0.659234 0.743808
H6 H 0.572313 1.01451 0.721392
H7 H 0.825319 0.9248 0.951215
H8 H 0.49401 0.87178 0.602475
H9 H 0.766359 1.12532 0.94036
H10 H 0.629775 1.39503 0.663482
H11 H 0.836434 1.39642 0.466157
H12 H 0.878739 1.40026 0.827521
H13 H 0.94869 1.40109 0.62102
H14 H 0.778551 1.01519 0.350554
H15 H 0.8977 0.872674 0.39146
H16 H 0.631718 0.606964 0.460535
H17 H 0.672325 1.40071 0.551167
H18 H 1.03356 1.3955 0.870039
H19 H 1.12566 0.924915 0.674567
H20 H 1.0571 0.659179 0.81338
H21 H 1.14925 1.01426 0.927855
H22 H 1.17397 1.12535 0.733628
H23 H 1.03917 0.606495 0.670796
H24 H 1.10857 0.871549 1.00617
H25 H 0.410634 0.750824 0.489115
H26 H 0.414352 0.598607 0.526432
H27 H 0.520058 0.539848 0.476173
H28 H 0.416025 0.595482 0.388719
H29 H 0.720337 1.31147 0.944041
H30 H 0.602615 1.31389 0.900479
H31 H 0.578135 1.39729 0.757174
H32 H 0.645452 1.49189 0.851043
H33 H 0.956307 0.539365 0.98018
H34 H 0.972769 0.595029 1.08416
H35 H 1.07855 0.750372 1.08962
H36 H 1.1122 0.598204 1.08576
H37 H 1.01122 0.751227 0.421511
H38 H 0.973573 0.59918 0.38756
H39 H 1.02319 0.539809 0.543279
H40 H 1.11101 0.595015 0.526942
H41 H 0.599625 1.31472 0.202055
H42 H 0.555774 1.31216 0.275982
H43 H 0.742654 1.39821 0.320887
H44 H 0.648807 1.49257 0.294615
H45 H 1.17873 1.39768 0.921605
H46 H 1.20533 1.4919 0.854163
H47 H 1.22378 1.3114 0.779701
H48 H 1.29765 1.31402 0.897465
C1 C 0.620979 0.83227 0.723053
C2 C 0.625362 0.948632 0.757496
C3 C 0.698853 0.983394 0.840048
C4 C 0.767755 0.900287 0.887424
C5 C 0.764293 0.782599 0.85351
C6 C 0.691029 0.749396 0.771639
C7 C 0.543164 0.79857 0.636341
C8 C 0.704429 1.10602 0.877311
C9 C 0.836719 0.693833 0.902785
C10 C 0.646662 0.783345 0.410812
C11 C 0.72854 0.750203 0.419371
C12 C 0.777021 0.833078 0.397761
C13 C 0.742455 0.949339 0.367557
C14 C 0.659937 0.984069 0.358562
C15 C 0.612613 0.900971 0.380288
C16 C 0.597484 0.694518 0.434082
C17 C 0.863761 0.799389 0.406603
C18 C 0.622601 1.10674 0.326894
C19 C 0.924488 1.40096 0.731491
C20 C 0.859772 1.40068 0.757308
C21 C 0.768245 1.40078 0.69286
C22 C 0.7425 1.40092 0.602381
C23 C 0.807031 1.40117 0.575335
C24 C 0.897503 1.40111 0.639986
C25 C 1.01988 1.40076 0.800654
C26 C 0.69908 1.40037 0.719121
C27 C 0.78076 1.40117 0.47989
C28 C 1.14119 0.983391 0.801249
C29 C 1.11954 0.900383 0.732232
C30 C 1.08911 0.782696 0.735676
C31 C 1.08059 0.749425 0.808994
C32 C 1.10214 0.832192 0.879126
C33 C 1.13221 0.948512 0.874773
C34 C 1.17286 1.10609 0.79567
C35 C 1.06584 0.693975 0.663167
C36 C 1.09332 0.798366 0.957005
C37 C 0.45343 0.669859 0.517042
C38 C 0.478398 0.621875 0.448857
C39 C 0.654906 1.3023 0.882653
C40 C 0.644003 1.40573 0.818109
C41 C 0.970573 0.621464 1.02179
C42 C 1.06368 0.669509 1.04675
C43 C 0.983011 0.67031 0.436153
C44 C 1.05092 0.621738 0.529131
C45 C 0.617228 1.30302 0.27206
C46 C 0.681766 1.40634 0.325925
C47 C 1.17389 1.40582 0.85572
C48 C 1.22765 1.30232 0.845087

#END

data_frm_0019
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_Int_Tables_number      15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 1/2-x,1/2+y,1/2-z
4 -x,y,1/2-z
5 -x,-y,-z
6 1/2-x,1/2-y,-z
7 1/2+x,1/2-y,1/2+z
8 x,-y,1/2+z
_cell_length_a                   24.7157
_cell_length_b                   10.9543
_cell_length_c                   43.8713
_cell_angle_alpha                90
_cell_angle_beta                 103.727
_cell_angle_gamma                90
_cell_volume                     11538.6
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.344506 0.972433 0.680264
N2 N 0.161118 0.961474 0.547253
N3 N 0.0810419 0.973391 0.677704
N4 N 0.41706 1.1958 0.691714
N5 N 0.305995 1.67206 0.740154
N6 N 0.371468 1.68329 0.605538
N7 N 0.0288933 1.67998 0.549607
N8 N 0.129499 1.18085 0.50569
N9 N 0.288408 1.65473 0.54369
N10 N -0.0102255 1.66182 0.609302
N11 N 0.18388 1.69566 0.737707
N12 N 0.0395352 1.19861 0.703914
H1 H 0.398296 1.5028 0.606018
H2 H 0.346101 1.46095 0.730671
H3 H 0.404954 1.36319 0.648931
H4 H 0.160146 0.985958 0.707616
H5 H 0.246175 0.979218 0.691311
H6 H 0.248584 0.970969 0.593378
H7 H 0.0918662 0.974012 0.620405
H8 H 0.335621 0.978486 0.631832
H9 H 0.0908486 0.974302 0.565589
H10 H 0.211606 1.24051 0.512743
H11 H 0.229523 1.76633 0.55687
H12 H 0.0716644 1.35354 0.522921
H13 H 0.13372 1.71299 0.552408
H14 H 0.336291 1.72123 0.655806
H15 H 0.300875 1.77857 0.700187
H16 H 0.381942 1.25894 0.727498
H17 H 0.243426 1.44352 0.528018
H18 H 0.00941646 1.49853 0.53745
H19 H 0.114054 1.72443 0.683946
H20 H 0.10884 1.37144 0.726678
H21 H -0.00463701 1.45442 0.638207
H22 H 0.0533336 1.77366 0.634158
H23 H 0.177295 1.51665 0.752479
H24 H -0.00781346 1.25495 0.660312
H25 H 0.419462 0.979034 0.663772
H26 H 0.420689 0.887623 0.697618
H27 H 0.416286 1.07213 0.729466
H28 H 0.475774 1.06759 0.713014
H29 H 0.0818279 0.96803 0.514247
H30 H 0.133797 0.872 0.504674
H31 H 0.189025 1.05233 0.496423
H32 H 0.120755 1.04788 0.471135
H33 H 0.0853347 0.985991 0.726975
H34 H 0.0324473 0.889927 0.704321
H35 H -0.0186417 1.06945 0.677833
H36 H -0.00975016 1.07049 0.719426
H37 H 0.26908 1.8493 0.739884
H38 H 0.311094 1.79658 0.776404
H39 H 0.24074 1.64042 0.78035
H40 H 0.215068 1.79336 0.778639
H41 H 0.414676 1.77499 0.577326
H42 H 0.398281 1.6211 0.565157
H43 H 0.315278 1.83329 0.560859
H44 H 0.34282 1.77479 0.52967
H45 H -0.0543981 1.62138 0.548222
H46 H -0.0459192 1.77317 0.535246
H47 H -0.000997104 1.83717 0.589437
H48 H -0.0703516 1.78136 0.584958
C1 C 0.254246 0.974943 0.643489
C2 C 0.225913 0.972504 0.611848
C3 C 0.16715 0.971996 0.603137
C4 C 0.137235 0.974147 0.626485
C5 C 0.165229 0.976685 0.658498
C6 C 0.223478 0.977095 0.666791
C7 C 0.315837 0.975555 0.651893
C8 C 0.136629 0.969404 0.569796
C9 C 0.134158 0.9792 0.683435
C10 C 0.377435 1.39838 0.691175
C11 C 0.353576 1.4835 0.707825
C12 C 0.338497 1.60076 0.695345
C13 C 0.347617 1.63146 0.66603
C14 C 0.371665 1.54654 0.648948
C15 C 0.386364 1.4306 0.661604
C16 C 0.392721 1.2762 0.704852
C17 C 0.313156 1.69169 0.712664
C18 C 0.381458 1.57755 0.61789
C19 C 0.0965864 1.53801 0.538082
C20 C 0.10538 1.4201 0.527996
C21 C 0.158255 1.38457 0.524191
C22 C 0.202137 1.46852 0.530671
C23 C 0.193887 1.58777 0.540878
C24 C 0.141232 1.62169 0.544526
C25 C 0.0406899 1.57245 0.541856
C26 C 0.168209 1.26025 0.51358
C27 C 0.23993 1.67745 0.54785
C28 C 0.0520248 1.59857 0.65812
C29 C 0.0955249 1.63389 0.683208
C30 C 0.116511 1.55281 0.708212
C31 C 0.0934036 1.43609 0.70771
C32 C 0.0495114 1.39912 0.682542
C33 C 0.029149 1.48048 0.657934
C34 C 0.0309635 1.68562 0.632255
C35 C 0.162538 1.58876 0.734886
C36 C 0.0247257 1.27591 0.681659
C37 C 0.404816 0.973113 0.685625
C38 C 0.430228 1.07907 0.707422
C39 C 0.126821 0.959609 0.515407
C40 C 0.144175 1.06168 0.495551
C41 C 0.0551076 0.976345 0.704127
C42 C 0.0121266 1.08032 0.700441
C43 C 0.280742 1.76812 0.754947
C44 C 0.228906 1.72064 0.764938
C45 C 0.382729 1.70338 0.574878
C46 C 0.330329 1.75 0.551328
C47 C -0.0274694 1.70316 0.552578
C48 C -0.0273326 1.75448 0.585261

#END

data_frm_0020
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
_cell_length_a                   11.0161
_cell_length_b                   27.7154
_cell_length_c                   18.4176
_cell_angle_alpha                90
_cell_angle_beta                 90.3971
_cell_angle_gamma                90
_cell_volume                     5623.05
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.758224 0.278663 0.421579
N2 N 0.275846 0.358909 0.25781
N3 N 0.732653 0.282445 0.0696851
N4 N 0.722142 0.189383 0.511406
N5 N 0.714895 -0.0117059 0.331518
N6 N 0.233882 0.0587325 0.502578
N7 N 0.0143919 0.0947075 0.0775601
N8 N 0.0454931 0.301779 0.24067
N9 N 0.0182704 0.104639 0.429442
N10 N 0.231893 0.0684256 -0.0117873
N11 N 0.690113 -0.0177624 0.169154
N12 N 0.741707 0.185386 -0.00264378
H1 H 0.303009 0.124565 0.538619
H2 H 0.760401 0.070828 0.391607
H3 H 0.507573 0.151852 0.521291
H4 H 0.839788 0.26029 0.157292
H5 H 0.789232 0.270996 0.282803
H6 H 0.442488 0.328741 0.346616
H7 H 0.52841 0.314118 0.11964
H8 H 0.58243 0.3036 0.439602
H9 H 0.332387 0.344659 0.152176
H10 H 0.0539476 0.275061 0.346346
H11 H 0.021092 0.0568494 0.34208
H12 H 0.0406078 0.229229 0.152083
H13 H 0.0187704 0.0799248 0.216406
H14 H 0.397508 0.0170436 0.424224
H15 H 0.533001 -0.0284858 0.349156
H16 H 0.824844 0.146521 0.442044
H17 H 0.0364889 0.191542 0.379201
H18 H 0.0359073 0.168425 0.0593113
H19 H 0.483311 0.00241469 0.10867
H20 H 0.764268 0.108399 0.0759231
H21 H 0.411064 0.128489 -0.0217707
H22 H 0.283833 0.0127554 0.0578836
H23 H 0.807709 0.039885 0.151534
H24 H 0.562534 0.189518 -0.0393133
H25 H 0.701472 0.284689 0.532325
H26 H 0.855773 0.299378 0.513216
H27 H 0.90204 0.213775 0.487268
H28 H 0.848535 0.224024 0.577259
H29 H 0.150722 0.375749 0.171827
H30 H 0.154664 0.415885 0.247667
H31 H 0.0628442 0.353615 0.326516
H32 H -0.0300351 0.37008 0.250555
H33 H 0.904364 0.250222 0.044952
H34 H 0.855222 0.298749 -0.0118025
H35 H 0.69204 0.248064 -0.0643037
H36 H 0.840804 0.224343 -0.0781037
H37 H 0.64712 -0.076357 0.281824
H38 H 0.799345 -0.0778098 0.315706
H39 H 0.866076 -0.0218689 0.219175
H40 H 0.802639 -0.0768867 0.1855
H41 H 0.102302 0.0403299 0.577825
H42 H 0.113904 0.103894 0.563642
H43 H 0.0161774 0.0291091 0.454541
H44 H -0.0722565 0.0677696 0.510883
H45 H 0.0257306 0.117882 -0.0332127
H46 H -0.0754425 0.069233 -0.0141017
H47 H 0.0975972 0.0149443 0.0125272
H48 H 0.0977008 0.0386811 -0.0776338
C1 C 0.620439 0.299211 0.323218
C2 C 0.506564 0.318087 0.304777
C3 C 0.472029 0.323742 0.231329
C4 C 0.552826 0.310206 0.176747
C5 C 0.667993 0.291099 0.194501
C6 C 0.701009 0.285717 0.26753
C7 C 0.653964 0.293672 0.400651
C8 C 0.352005 0.343638 0.211
C9 C 0.754289 0.276552 0.137391
C10 C 0.643999 0.115582 0.458187
C11 C 0.671025 0.0752154 0.415707
C12 C 0.582797 0.039223 0.402978
C13 C 0.4674 0.0442347 0.433276
C14 C 0.438814 0.084753 0.476261
C15 C 0.527168 0.120173 0.488393
C16 C 0.738336 0.152717 0.470463
C17 C 0.609992 -0.0036383 0.358082
C18 C 0.317145 0.0906076 0.508544
C19 C 0.0290622 0.152672 0.175787
C20 C 0.036532 0.201578 0.194052
C21 C 0.0390994 0.216234 0.267409
C22 C 0.0343547 0.181277 0.322112
C23 C 0.0268488 0.131806 0.304497
C24 C 0.0243272 0.117839 0.231546
C25 C 0.0266131 0.138467 0.0983897
C26 C 0.0470956 0.267778 0.28757
C27 C 0.0219109 0.0944547 0.361786
C28 C 0.433117 0.0637668 0.041662
C29 C 0.512565 0.0363052 0.0844352
C30 C 0.632695 0.0519364 0.0972811
C31 C 0.672018 0.095379 0.0668272
C32 C 0.592891 0.123496 0.023568
C33 C 0.474087 0.10753 0.0113225
C34 C 0.30773 0.0464258 0.029227
C35 C 0.717719 0.0233379 0.142478
C36 C 0.633132 0.169554 -0.00889562
C37 C 0.78082 0.274802 0.499164
C38 C 0.821595 0.223397 0.519594
C39 C 0.160655 0.377739 0.231495
C40 C 0.0535824 0.35112 0.266857
C41 C 0.82439 0.266852 0.0185562
C42 C 0.770736 0.23111 -0.0370361
C43 C 0.731226 -0.0550465 0.288298
C44 C 0.781042 -0.042625 0.212675
C45 C 0.11772 0.0683531 0.536606
C46 C 0.0133958 0.0649127 0.480779
C47 C 0.0131191 0.0851038 6.12472e-005
C48 C 0.111186 0.0479557 -0.0200653

#END

data_frm_0021
_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                   22.3196
_cell_length_b                   10.9674
_cell_length_c                   24.6127
_cell_angle_alpha                90
_cell_angle_beta                 106.895
_cell_angle_gamma                90
_cell_volume                     5764.86
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.512842 0.933548 0.578861
N2 N 0.583161 0.464574 0.745834
N3 N 0.612417 0.436321 0.491576
N4 N 0.59271 1.15541 0.617978
N5 N 0.861644 1.1507 0.566623
N6 N 0.84924 1.15551 0.826574
N7 N 0.979171 0.459764 0.804375
N8 N 0.702916 0.441237 0.84071
N9 N 0.8698 0.933715 0.901434
N10 N 0.982101 0.434257 0.683578
N11 N 0.919022 0.926881 0.531868
N12 N 0.735286 0.457802 0.465349
H1 H 0.752107 1.14568 0.807767
H2 H 0.745253 1.14651 0.565229
H3 H 0.680131 1.15015 0.71391
H4 H 0.587245 0.616357 0.468756
H5 H 0.552498 0.761022 0.526263
H6 H 0.552558 0.673993 0.69713
H7 H 0.611544 0.404942 0.595633
H8 H 0.52155 0.874983 0.661391
H9 H 0.61483 0.353439 0.691198
H10 H 0.700484 0.622016 0.866055
H11 H 0.945066 0.872493 0.874748
H12 H 0.807042 0.406222 0.816541
H13 H 0.955565 0.670461 0.841035
H14 H 0.878216 1.14772 0.732135
H15 H 0.91693 1.14066 0.650846
H16 H 0.63455 1.14308 0.552702
H17 H 0.785647 0.763945 0.881172
H18 H 0.899613 0.351147 0.791357
H19 H 0.961838 0.756588 0.605881
H20 H 0.791437 0.666823 0.475892
H21 H 0.87854 0.401228 0.603583
H22 H 1.0109 0.613863 0.679211
H23 H 0.834434 0.867714 0.476634
H24 H 0.782441 0.348239 0.533613
H25 H 0.488697 1.06171 0.634847
H26 H 0.442459 1.06397 0.562245
H27 H 0.531463 1.1466 0.532953
H28 H 0.507763 1.24198 0.581793
H29 H 0.617778 0.287834 0.776885
H30 H 0.552437 0.344545 0.797228
H31 H 0.619061 0.501512 0.858222
H32 H 0.643833 0.348749 0.877953
H33 H 0.614393 0.493308 0.408804
H34 H 0.58909 0.341069 0.41543
H35 H 0.696175 0.281387 0.471119
H36 H 0.691246 0.336153 0.401634
H37 H 0.960976 1.14068 0.581031
H38 H 0.917938 1.23502 0.523861
H39 H 0.868876 1.05385 0.468755
H40 H 0.952349 1.05548 0.485962
H41 H 0.878652 1.24199 0.904874
H42 H 0.811225 1.14839 0.897133
H43 H 0.944931 1.05983 0.907825
H44 H 0.907952 1.06365 0.963117
H45 H 0.982278 0.282258 0.768855
H46 H 1.05294 0.337472 0.817503
H47 H 1.06419 0.492556 0.748085
H48 H 1.06356 0.339371 0.72327
C1 C 0.549819 0.731405 0.612064
C2 C 0.560881 0.648649 0.657144
C3 C 0.583151 0.530117 0.651802
C4 C 0.594257 0.495779 0.600866
C5 C 0.583345 0.578271 0.555019
C6 C 0.561237 0.695416 0.560905
C7 C 0.526548 0.854994 0.618957
C8 C 0.595055 0.441652 0.69907
C9 C 0.594977 0.543321 0.50095
C10 C 0.705302 1.14855 0.635757
C11 C 0.754481 1.14744 0.611205
C12 C 0.817306 1.14721 0.645514
C13 C 0.830154 1.14808 0.704625
C14 C 0.78104 1.14925 0.730014
C15 C 0.718972 1.14938 0.695465
C16 C 0.639959 1.1486 0.598665
C17 C 0.869803 1.14584 0.620158
C18 C 0.793889 1.14993 0.792451
C19 C 0.885866 0.528829 0.826653
C20 C 0.826219 0.496562 0.829504
C21 C 0.789411 0.580554 0.84923
C22 C 0.813085 0.697141 0.865906
C23 C 0.873165 0.730982 0.863249
C24 C 0.909117 0.646732 0.843631
C25 C 0.923284 0.438759 0.805756
C26 C 0.726263 0.547839 0.85244
C27 C 0.898759 0.853999 0.880683
C28 C 0.925757 0.574257 0.610359
C29 C 0.925181 0.690648 0.58699
C30 C 0.876937 0.725481 0.538317
C31 C 0.82936 0.642355 0.513466
C32 C 0.829296 0.524591 0.53657
C33 C 0.877419 0.491387 0.58482
C34 C 0.976943 0.540496 0.661414
C35 C 0.875631 0.848285 0.513165
C36 C 0.779242 0.435777 0.510809
C37 C 0.490242 1.052 0.590623
C38 C 0.53069 1.15516 0.577432
C39 C 0.596762 0.370607 0.789284
C40 C 0.64046 0.419556 0.845523
C41 C 0.622254 0.412532 0.436771
C42 C 0.688723 0.363366 0.443951
C43 C 0.916706 1.14895 0.546466
C44 C 0.912773 1.0446 0.503731
C45 C 0.856245 1.15565 0.887164
C46 C 0.899595 1.05146 0.917127
C47 C 1.01138 0.364311 0.783021
C48 C 1.03442 0.411456 0.733686

#END

data_frm_0022
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_Int_Tables_number      15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 1/2-x,1/2+y,1/2-z
4 -x,y,1/2-z
5 -x,-y,-z
6 1/2-x,1/2-y,-z
7 1/2+x,1/2-y,1/2+z
8 x,-y,1/2+z
_cell_length_a                   24.8147
_cell_length_b                   10.9568
_cell_length_c                   44.9795
_cell_angle_alpha                90
_cell_angle_beta                 110.624
_cell_angle_gamma                90
_cell_volume                     11445.7
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.113774 0.498107 0.502182
N2 N -0.00658826 0.031241 0.541972
N3 N 0.258651 -0.00204923 0.549145
N4 N 0.126354 0.720231 0.543254
N5 N 0.34369 0.712302 0.67595
N6 N 0.0833173 0.722087 0.677348
N7 N 0.183047 0.0242007 0.741284
N8 N -0.0243318 0.00865663 0.604493
N9 N 0.0224809 0.501325 0.689703
N10 N 0.302176 -0.0036215 0.739211
N11 N 0.4123 0.487138 0.703488
N12 N 0.360712 0.0179232 0.609696
H1 H 0.0410929 0.712717 0.628328
H2 H 0.272563 0.709061 0.617824
H3 H 0.0875181 0.716041 0.589667
H4 H 0.265868 0.177936 0.535981
H5 H 0.188911 0.324094 0.520374
H6 H 0.0225268 0.240198 0.525354
H7 H 0.156829 -0.0314956 0.551728
H8 H 0.0387493 0.440968 0.508904
H9 H 0.0657862 -0.0812842 0.556134
H10 H -0.0497764 0.190098 0.60408
H11 H 0.0950421 0.438917 0.726461
H12 H 0.0638487 -0.0277261 0.655734
H13 H 0.133538 0.235969 0.730646
H14 H 0.193126 0.71228 0.689044
H15 H 0.296204 0.703364 0.70599
H16 H 0.2158 0.706318 0.562223
H17 H -0.0108949 0.331718 0.647067
H18 H 0.145725 -0.0840979 0.70117
H19 H 0.366352 0.317711 0.72695
H20 H 0.386252 0.226866 0.638096
H21 H 0.31532 -0.0373106 0.685193
H22 H 0.325055 0.175828 0.753512
H23 H 0.413092 0.427588 0.65964
H24 H 0.323295 -0.0908631 0.635181
H25 H 0.044834 0.627643 0.491813
H26 H 0.0866152 0.628923 0.466617
H27 H 0.170833 0.710339 0.510201
H28 H 0.108978 0.806923 0.499836
H29 H -0.0159071 -0.145372 0.560089
H30 H -0.0761436 -0.0876746 0.528092
H31 H -0.0933354 0.0700244 0.563181
H32 H -0.0976827 -0.0827184 0.576058
H33 H 0.340544 0.0534195 0.547738
H34 H 0.317751 -0.0986272 0.535245
H35 H 0.330065 -0.158221 0.590285
H36 H 0.394743 -0.10466 0.585812
H37 H 0.391486 0.701707 0.725932
H38 H 0.420632 0.795426 0.702821
H39 H 0.442931 0.61346 0.676663
H40 H 0.478185 0.614704 0.718824
H41 H 0.0258631 0.809871 0.69433
H42 H -0.00896394 0.716603 0.660434
H43 H 0.0635525 0.627042 0.727435
H44 H -0.0132006 0.632224 0.710595
H45 H 0.218801 -0.154164 0.741737
H46 H 0.215725 -0.0985851 0.778437
H47 H 0.290813 0.0552472 0.782079
H48 H 0.313927 -0.098537 0.780979
C1 C 0.103732 0.296085 0.521526
C2 C 0.0664791 0.214009 0.528337
C3 C 0.0850604 0.0950768 0.539247
C4 C 0.141346 0.059666 0.543293
C5 C 0.179441 0.141464 0.536539
C6 C 0.160421 0.259018 0.525724
C7 C 0.0830272 0.42011 0.510161
C8 C 0.0461853 0.0073265 0.546536
C9 C 0.239104 0.105369 0.540748
C10 C 0.179146 0.71277 0.59995
C11 C 0.233626 0.710764 0.623773
C12 C 0.239387 0.710657 0.656126
C13 C 0.189943 0.712531 0.664263
C14 C 0.134682 0.714595 0.640493
C15 C 0.129635 0.714588 0.608513
C16 C 0.174518 0.712663 0.566264
C17 C 0.296713 0.708376 0.681575
C18 C 0.0820072 0.71633 0.648726
C19 C 0.103566 0.0945196 0.695404
C20 C 0.0635286 0.0627858 0.665708
C21 C 0.0217738 0.147531 0.64795
C22 C 0.0207633 0.264337 0.660284
C23 C 0.0608973 0.297659 0.690203
C24 C 0.102016 0.212657 0.707535
C25 C 0.146823 0.0036674 0.713429
C26 C -0.0207816 0.115378 0.616521
C27 C 0.0603678 0.420905 0.703526
C28 C 0.338815 0.135598 0.709011
C29 C 0.361629 0.251664 0.708086
C30 C 0.379041 0.286026 0.682601
C31 C 0.373251 0.202754 0.658114
C32 C 0.35029 0.0853198 0.658707
C33 C 0.333217 0.0525882 0.68412
C34 C 0.320928 0.102341 0.736035
C35 C 0.403167 0.408483 0.681263
C36 C 0.343809 -0.00363783 0.632951
C37 C 0.08874 0.617073 0.491283
C38 C 0.127154 0.719744 0.511119
C39 C -0.0407313 -0.0621126 0.549993
C40 C -0.0679842 -0.0124285 0.573453
C41 C 0.317948 -0.0269716 0.552445
C42 C 0.352145 -0.0766066 0.585799
C43 C 0.397541 0.709711 0.702832
C44 C 0.436227 0.604493 0.699587
C45 C 0.0287929 0.723306 0.68261
C46 C 0.0262516 0.619225 0.705079
C47 C 0.22347 -0.0720198 0.756697
C48 C 0.285955 -0.0259453 0.766771

#END

data_frm_0023
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_Int_Tables_number      15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 1/2-x,1/2+y,1/2-z
4 -x,y,1/2-z
5 -x,-y,-z
6 1/2-x,1/2-y,-z
7 1/2+x,1/2-y,1/2+z
8 x,-y,1/2+z
_cell_length_a                   44.4347
_cell_length_b                   10.9383
_cell_length_c                   24.5647
_cell_angle_alpha                90
_cell_angle_beta                 105.254
_cell_angle_gamma                90
_cell_volume                     11518.8
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.0487411 0.0786097 0.176241
N2 N 0.182722 0.0880125 0.36255
N3 N 0.17652 0.0925808 0.095813
N4 N 0.00799046 0.297665 0.176564
N5 N 0.0408959 0.775554 0.046998
N6 N 0.0553499 0.795231 0.316495
N7 N 0.239548 0.813367 0.309034
N8 N 0.210329 0.31271 0.427069
N9 N 0.116782 0.776013 0.404046
N10 N 0.2381 0.791942 0.186386
N11 N 0.100351 0.805307 0.0118394
N12 N 0.185647 0.31776 0.0320111
H1 H 0.0437905 0.613232 0.325893
H2 H 0.026595 0.563127 0.0793471
H3 H 0.0270651 0.469487 0.250111
H4 H 0.128074 0.0987354 0.0660481
H5 H 0.0922704 0.0892307 0.12401
H6 H 0.124713 0.0893055 0.305615
H7 H 0.190925 0.0976313 0.205043
H8 H 0.0695609 0.0892938 0.262703
H9 H 0.210174 0.102693 0.305886
H10 H 0.167862 0.367838 0.44006
H11 H 0.139697 0.88942 0.359705
H12 H 0.230831 0.486869 0.375035
H13 H 0.18781 0.841074 0.337437
H14 H 0.0547657 0.830571 0.212014
H15 H 0.0561458 0.885848 0.118151
H16 H 0.0121199 0.359489 0.0986066
H17 H 0.145596 0.568153 0.42033
H18 H 0.254621 0.633756 0.326792
H19 H 0.152149 0.842133 0.0882369
H20 H 0.143012 0.485414 0.0108482
H21 H 0.227265 0.581598 0.136707
H22 H 0.198028 0.898643 0.160032
H23 H 0.0999748 0.62519 -0.0159447
H24 H 0.222899 0.380205 0.0966613
H25 H 0.018226 0.0830113 0.230837
H26 H 0.00682307 -0.0114664 0.169591
H27 H -0.00351946 0.170666 0.107742
H28 H -0.0265059 0.164665 0.15738
H29 H 0.232158 0.101287 0.397774
H30 H 0.211207 0.00346791 0.433105
H31 H 0.18591 0.181993 0.464564
H32 H 0.227499 0.183034 0.489207
H33 H 0.157476 0.10074 0.00615497
H34 H 0.191516 0.00910781 0.0317256
H35 H 0.223688 0.193556 0.0625061
H36 H 0.205152 0.190571 -0.0113996
H37 H 0.0572688 0.954761 0.0339716
H38 H 0.0249728 0.896805 -0.0193644
H39 H 0.0588288 0.743588 -0.0480061
H40 H 0.0704863 0.898058 -0.0544947
H41 H 0.0434241 0.887349 0.381712
H42 H 0.0567936 0.735167 0.40025
H43 H 0.0964525 0.951937 0.379455
H44 H 0.0943594 0.894744 0.44644
H45 H 0.280637 0.758876 0.285184
H46 H 0.279712 0.911508 0.310524
H47 H 0.238986 0.968709 0.224451
H48 H 0.274391 0.916603 0.21081
C1 C 0.104792 0.0886912 0.214914
C2 C 0.129289 0.0903503 0.264173
C3 C 0.160593 0.0934396 0.261271
C4 C 0.166985 0.095035 0.208494
C5 C 0.142522 0.0934515 0.158431
C6 C 0.111613 0.0903189 0.16195
C7 C 0.0722478 0.0855776 0.219318
C8 C 0.186724 0.0952087 0.312952
C9 C 0.148925 0.095321 0.102338
C10 C 0.0255586 0.502391 0.162931
C11 C 0.0306295 0.587317 0.123728
C12 C 0.0411774 0.706477 0.140832
C13 C 0.0465691 0.739285 0.197618
C14 C 0.0415477 0.654604 0.237667
C15 C 0.0311052 0.536756 0.220104
C16 C 0.0145408 0.378179 0.143721
C17 C 0.0466916 0.797229 0.0998663
C18 C 0.0472034 0.687847 0.297875
C19 C 0.212082 0.668987 0.35346
C20 C 0.212293 0.551412 0.375965
C21 C 0.188426 0.513608 0.400401
C22 C 0.164364 0.594956 0.401862
C23 C 0.16384 0.71383 0.379296
C24 C 0.187661 0.750008 0.355238
C25 C 0.23743 0.705836 0.328105
C26 C 0.188316 0.389613 0.424315
C27 C 0.138512 0.800747 0.380494
C28 C 0.191936 0.721405 0.116981
C29 C 0.162087 0.752486 0.0844
C30 C 0.144112 0.668162 0.045772
C31 C 0.156391 0.552491 0.0402807
C32 C 0.186472 0.519789 0.0728803
C33 C 0.20401 0.604349 0.110991
C34 C 0.210201 0.811788 0.157122
C35 C 0.112497 0.699598 0.0110909
C36 C 0.199749 0.397759 0.0676
C37 C 0.0178527 0.0759009 0.185821
C38 C -0.00274756 0.178847 0.152875
C39 C 0.210163 0.0905668 0.410257
C40 C 0.207735 0.193598 0.451598
C41 C 0.179949 0.0945209 0.0386393
C42 C 0.201032 0.200987 0.0306145
C43 C 0.0471785 0.871658 0.0106661
C44 C 0.0691297 0.825774 -0.0240861
C45 C 0.0602542 0.817442 0.37653
C46 C 0.0931657 0.868662 0.402652
C47 C 0.265485 0.839044 0.285131
C48 C 0.253801 0.887591 0.224397

#END

data_frm_0024
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
_cell_length_a                   13.2086
_cell_length_b                   37.9982
_cell_length_c                   13.4935
_cell_angle_alpha                90
_cell_angle_beta                 119.569
_cell_angle_gamma                90
_cell_volume                     5890.4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.261664 0.516535 0.101745
N2 N 0.669478 0.41868 0.484462
N3 N 0.264804 0.481448 0.573665
N4 N 0.105598 0.480734 -0.121145
N5 N -0.304482 0.384658 -0.130045
N6 N 0.0999634 0.312269 -0.200744
N7 N 0.266578 0.237187 0.434571
N8 N 0.675245 0.339844 0.469543
N9 N 0.302484 0.272465 -0.0174236
N10 N 0.0942771 0.27106 0.489189
N11 N -0.311873 0.362313 0.0799657
N12 N 0.0609979 0.439335 0.548499
H1 H 0.197819 0.357673 -0.177191
H2 H -0.159336 0.433051 -0.114315
H3 H 0.143852 0.415676 -0.149839
H4 H 0.168136 0.505923 0.415841
H5 H 0.222787 0.508919 0.270778
H6 H 0.52533 0.454317 0.306767
H7 H 0.438935 0.449438 0.575706
H8 H 0.405571 0.48591 0.133537
H9 H 0.605569 0.417449 0.598125
H10 H 0.622399 0.340543 0.296283
H11 H 0.200337 0.246856 0.0385932
H12 H 0.52729 0.302589 0.497856
H13 H 0.241607 0.244468 0.232851
H14 H -0.074321 0.328203 -0.171899
H15 H -0.241323 0.336208 -0.148108
H16 H -0.0384361 0.482448 -0.0969514
H17 H 0.465193 0.306508 0.152905
H18 H 0.402662 0.269621 0.546099
H19 H -0.165174 0.315631 0.213753
H20 H -0.101869 0.421357 0.347225
H21 H 0.120062 0.336481 0.550692
H22 H -0.0416368 0.267677 0.321651
H23 H -0.258842 0.411431 0.15729
H24 H 0.162042 0.395022 0.627277
H25 H 0.309395 0.514945 -0.0287352
H26 H 0.256523 0.555861 -0.00740551
H27 H 0.0584777 0.531124 -0.0848908
H28 H 0.111949 0.530166 -0.18329
H29 H 0.76506 0.387971 0.636169
H30 H 0.847631 0.411207 0.584983
H31 H 0.77479 0.371719 0.417628
H32 H 0.8531 0.349433 0.551107
H33 H 0.108039 0.507668 0.542337
H34 H 0.228772 0.510033 0.683693
H35 H 0.210217 0.44669 0.713757
H36 H 0.0832234 0.47171 0.68171
H37 H -0.401369 0.338858 -0.134352
H38 H -0.482916 0.377544 -0.202357
H39 H -0.41049 0.407031 -0.0159191
H40 H -0.489463 0.367425 -0.0301444
H41 H 0.13625 0.280174 -0.303829
H42 H 0.257333 0.306616 -0.208727
H43 H 0.15285 0.244551 -0.142956
H44 H 0.280218 0.243476 -0.15719
H45 H 0.301576 0.239376 0.607383
H46 H 0.258045 0.197833 0.536786
H47 H 0.0587821 0.220171 0.410507
H48 H 0.101911 0.221684 0.558451
C1 C 0.370742 0.48319 0.276116
C2 C 0.467911 0.46181 0.339729
C3 C 0.493788 0.449426 0.448353
C4 C 0.421096 0.458685 0.49219
C5 C 0.322735 0.480219 0.429
C6 C 0.298208 0.492311 0.32149
C7 C 0.345831 0.495723 0.162513
C8 C 0.596157 0.42682 0.516588
C9 C 0.244993 0.490162 0.474162
C10 C -0.00439514 0.428571 -0.130561
C11 C -0.102074 0.415525 -0.128015
C12 C -0.128585 0.379273 -0.142919
C13 C -0.0560414 0.356318 -0.160342
C14 C 0.0428059 0.369088 -0.163157
C15 C 0.0680614 0.405099 -0.148169
C16 C 0.0211693 0.466687 -0.114523
C17 C -0.2315 0.365081 -0.140268
C18 C 0.120475 0.345142 -0.181264
C19 C 0.380496 0.271892 0.374238
C20 C 0.475927 0.294417 0.409183
C21 C 0.507802 0.307123 0.330155
C22 C 0.442762 0.297035 0.215831
C23 C 0.346257 0.274334 0.179339
C24 C 0.315738 0.26195 0.25867
C25 C 0.349247 0.259042 0.45913
C26 C 0.608361 0.330974 0.36576
C27 C 0.276601 0.26349 0.0586992
C28 C -0.0186061 0.321881 0.384507
C29 C -0.113635 0.333784 0.28316
C30 C -0.144939 0.369694 0.268408
C31 C -0.0798193 0.393459 0.356308
C32 C 0.0163285 0.381844 0.459046
C33 C 0.0463002 0.346175 0.472421
C34 C 0.0120496 0.284094 0.397362
C35 C -0.245088 0.382694 0.161678
C36 C 0.0861268 0.406671 0.55268
C37 C 0.245914 0.527137 -0.00843839
C38 C 0.121969 0.518501 -0.104258
C39 C 0.766867 0.396283 0.55859
C40 C 0.77163 0.363371 0.494483
C41 C 0.18238 0.492808 0.608886
C42 C 0.135941 0.461198 0.64584
C43 C -0.402537 0.367837 -0.128634
C44 C -0.40771 0.378037 -0.0208137
C45 C 0.182409 0.291265 -0.21729
C46 C 0.227707 0.260183 -0.13316
C47 C 0.243953 0.226413 0.525059
C48 C 0.116402 0.233524 0.492061

#END

data_frm_0025
_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                   23.1594
_cell_length_b                   11.0002
_cell_length_c                   24.4313
_cell_angle_alpha                90
_cell_angle_beta                 112.195
_cell_angle_gamma                90
_cell_volume                     5762.87
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.523302 0.519391 0.820326
N2 N 0.798632 0.52589 1.02874
N3 N 0.628479 0.0394136 0.981495
N4 N 0.52061 0.549425 0.697155
N5 N 0.579294 0.061298 0.578616
N6 N 0.765977 0.523802 0.630276
N7 N 0.983769 0.0361773 0.878375
N8 N 0.917638 0.501035 1.00732
N9 N 0.888639 0.538723 0.733304
N10 N 0.902313 -0.183122 0.865769
N11 N 0.634462 -0.165668 0.646836
N12 N 0.646869 -0.179574 0.916438
H1 H 0.720248 0.632275 0.671157
H2 H 0.5381 0.23006 0.628233
H3 H 0.624043 0.581015 0.681334
H4 H 0.553982 0.104446 0.908458
H5 H 0.545105 0.307298 0.869969
H6 H 0.695107 0.565811 0.940189
H7 H 0.713672 0.206184 1.01513
H8 H 0.603299 0.625266 0.857926
H9 H 0.799486 0.344895 1.0543
H10 H 0.886662 0.614559 0.933595
H11 H 0.912146 0.359032 0.724164
H12 H 0.946173 0.292482 0.97523
H13 H 0.945554 0.211447 0.80235
H14 H 0.708474 0.317231 0.604068
H15 H 0.663961 0.118871 0.575971
H16 H 0.490479 0.37173 0.673082
H17 H 0.889695 0.566384 0.838882
H18 H 0.975282 0.0919474 0.956528
H19 H 0.750471 -0.166169 0.717879
H20 H 0.618082 -0.167716 0.80334
H21 H 0.815301 -0.177808 0.908062
H22 H 0.86073 -0.16693 0.774105
H23 H 0.57957 -0.156008 0.69742
H24 H 0.743738 -0.173863 0.957927
H25 H 0.521527 0.69783 0.784421
H26 H 0.450768 0.643743 0.788928
H27 H 0.438336 0.492376 0.710382
H28 H 0.440279 0.645893 0.687383
H29 H 0.881684 0.462056 1.09797
H30 H 0.858211 0.614578 1.1038
H31 H 0.884546 0.677531 1.01871
H32 H 0.949247 0.617896 1.07934
H33 H 0.552524 -0.0833022 0.940142
H34 H 0.589617 -0.0907412 1.01876
H35 H 0.684963 -0.176914 1.01122
H36 H 0.616977 -0.267589 0.976172
H37 H 0.627922 -0.0652626 0.544716
H38 H 0.544831 -0.0638365 0.51031
H39 H 0.535629 -0.151746 0.599894
H40 H 0.577543 -0.245717 0.567947
H41 H 0.810976 0.645361 0.59477
H42 H 0.806635 0.697645 0.662299
H43 H 0.885932 0.484725 0.648049
H44 H 0.912692 0.635098 0.671977
H45 H 1.00659 -0.0944495 0.948486
H46 H 1.05272 -0.0961038 0.904149
H47 H 0.963412 -0.173623 0.818334
H48 H 0.986255 -0.271499 0.881294
C1 C 0.615651 0.446328 0.900153
C2 C 0.675314 0.476044 0.940399
C3 C 0.711314 0.390127 0.982328
C4 C 0.686842 0.274298 0.983308
C5 C 0.626745 0.242961 0.942967
C6 C 0.591584 0.329054 0.901691
C7 C 0.57908 0.538251 0.856709
C8 C 0.77444 0.420204 1.02515
C9 C 0.600305 0.120767 0.943409
C10 C 0.575573 0.410097 0.657017
C11 C 0.575149 0.29494 0.632619
C12 C 0.622893 0.260033 0.613213
C13 C 0.67097 0.341873 0.618588
C14 C 0.672012 0.458377 0.643102
C15 C 0.624379 0.491716 0.662196
C16 C 0.524919 0.443956 0.677021
C17 C 0.623121 0.138492 0.587403
C18 C 0.722589 0.545799 0.64918
C19 C 0.948478 0.238044 0.890684
C20 C 0.938151 0.319487 0.930025
C21 C 0.916972 0.438686 0.91198
C22 C 0.906192 0.475025 0.854072
C23 C 0.916393 0.393841 0.813905
C24 C 0.937407 0.275999 0.832431
C25 C 0.970636 0.113697 0.910932
C26 C 0.905784 0.525751 0.953022
C27 C 0.905114 0.430997 0.752522
C28 C 0.790282 -0.172397 0.813771
C29 C 0.741309 -0.168297 0.75846
C30 C 0.678755 -0.166684 0.753952
C31 C 0.665959 -0.169094 0.805475
C32 C 0.714875 -0.173188 0.8616
C33 C 0.776635 -0.174747 0.865368
C34 C 0.855359 -0.173941 0.817044
C35 C 0.626466 -0.162171 0.695795
C36 C 0.702068 -0.175572 0.916483
C37 C 0.491966 0.616698 0.779784
C38 C 0.468662 0.572361 0.715268
C39 C 0.861019 0.544944 1.07257
C40 C 0.904905 0.593876 1.04354
C41 C 0.597852 -0.0772363 0.977642
C42 C 0.640041 -0.181785 0.973165
C43 C 0.584396 -0.0553246 0.552889
C44 C 0.579595 -0.160767 0.592388
C45 C 0.813268 0.61655 0.638658
C46 C 0.878987 0.564725 0.672179
C47 C 1.00521 -0.0831937 0.90305
C48 C 0.964124 -0.183914 0.863581

#END

data_frm_0026
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/a'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,-z
3 -x,-y,-z
4 1/2+x,1/2-y,z
_cell_length_a                   10.8817
_cell_length_b                   43.0611
_cell_length_c                   14.074
_cell_angle_alpha                90
_cell_angle_beta                 61.9001
_cell_angle_gamma                90
_cell_volume                     5817.43
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.400873 0.298319 0.9303
N2 N -0.0515763 0.388211 0.89146
N3 N -0.257179 0.264744 1.1899
N4 N 0.561104 0.327271 1.03251
N5 N 0.23816 0.331744 1.55451
N6 N 0.405296 0.459879 1.28013
N7 N -0.448094 0.461635 1.52975
N8 N -0.149309 0.448804 1.00948
N9 N 0.202612 0.498922 1.24346
N10 N -0.546174 0.401732 1.65227
N11 N -0.0689248 0.320302 1.68898
N12 N -0.382486 0.265479 1.43107
H1 H 0.488916 0.439623 1.12789
H2 H 0.358118 0.318025 1.35155
H3 H 0.516921 0.384834 1.09274
H4 H -0.0617824 0.251006 1.16789
H5 H 0.154262 0.276129 1.05102
H6 H 0.164431 0.361041 0.885068
H7 H -0.228213 0.316412 1.08723
H8 H 0.379802 0.340257 0.865371
H9 H -0.228876 0.364265 1.00012
H10 H 0.0500175 0.461612 0.980591
H11 H 0.0448006 0.493891 1.40151
H12 H -0.310265 0.448321 1.21577
H13 H -0.189395 0.477778 1.45269
H14 H 0.312211 0.416046 1.42276
H15 H 0.216948 0.379864 1.56972
H16 H 0.466355 0.299398 1.16938
H17 H 0.110274 0.479004 1.11541
H18 H -0.479585 0.445992 1.40272
H19 H -0.244103 0.361543 1.69221
H20 H -0.226103 0.277519 1.51941
H21 H -0.514108 0.35021 1.54822
H22 H -0.398598 0.403205 1.70708
H23 H -0.0693808 0.283185 1.59417
H24 H -0.504422 0.304487 1.4475
H25 H 0.588039 0.323821 0.833513
H26 H 0.598358 0.282487 0.822883
H27 H 0.569281 0.278048 1.0076
H28 H 0.718843 0.299965 0.918535
H29 H -0.249067 0.407119 0.922042
H30 H -0.110085 0.410083 0.78756
H31 H 0.0115283 0.448302 0.845247
H32 H -0.157728 0.460529 0.869569
H33 H -0.249302 0.223877 1.2738
H34 H -0.371758 0.223972 1.22293
H35 H -0.514987 0.26354 1.3568
H36 H -0.494306 0.228507 1.41567
H37 H 0.129663 0.350009 1.71489
H38 H 0.238189 0.316947 1.69489
H39 H 0.0767049 0.283564 1.66229
H40 H -0.00142643 0.301474 1.79212
H41 H 0.505751 0.502381 1.25567
H42 H 0.479389 0.490757 1.14482
H43 H 0.252693 0.510813 1.36915
H44 H 0.327949 0.534241 1.2505
H45 H -0.650673 0.443858 1.56971
H46 H -0.643022 0.476125 1.64648
H47 H -0.538605 0.443177 1.7337
H48 H -0.706512 0.430379 1.75669
C1 C 0.176465 0.318495 0.962937
C2 C 0.107028 0.341989 0.938544
C3 C -0.0394003 0.341533 0.982822
C4 C -0.115113 0.317312 1.0518
C5 C -0.046538 0.293454 1.07721
C6 C 0.0986315 0.294204 1.03269
C7 C 0.329958 0.319634 0.915397
C8 C -0.11424 0.366182 0.957783
C9 C -0.125245 0.267724 1.15017
C10 C 0.443495 0.348705 1.21288
C11 C 0.375489 0.34196 1.32307
C12 C 0.327471 0.366083 1.40001
C13 C 0.348426 0.396975 1.36513
C14 C 0.416887 0.404136 1.25424
C15 C 0.463864 0.379975 1.17885
C16 C 0.492457 0.322919 1.13421
C17 C 0.255195 0.359316 1.5168
C18 C 0.439562 0.436673 1.21611
C19 C -0.265542 0.462472 1.34431
C20 C -0.232366 0.457147 1.23682
C21 C -0.0969008 0.463067 1.15304
C22 C 0.00473848 0.474304 1.1784
C23 C -0.0271992 0.479781 1.28647
C24 C -0.161951 0.473819 1.36863
C25 C -0.40846 0.45603 1.43029
C26 C -0.0602194 0.45752 1.03907
C27 C 0.0792846 0.491624 1.31446
C28 C -0.386553 0.359289 1.62452
C29 C -0.282022 0.347868 1.64623
C30 C -0.223013 0.318315 1.60885
C31 C -0.269948 0.30041 1.54947
C32 C -0.375315 0.311628 1.52689
C33 C -0.432791 0.340963 1.56449
C34 C -0.446277 0.390367 1.66477
C35 C -0.11227 0.305937 1.631
C36 C -0.425836 0.292977 1.46406
C37 C 0.551244 0.301942 0.879204
C38 C 0.60422 0.300137 0.963026
C39 C -0.135961 0.411152 0.873087
C40 C -0.101328 0.444175 0.895158
C41 C -0.323123 0.238488 1.26042
C42 C -0.439912 0.24938 1.37011
C43 C 0.165726 0.327855 1.67074
C44 C 0.0402946 0.30587 1.70537
C45 C 0.432634 0.49084 1.23355
C46 C 0.29827 0.510357 1.28053
C47 C -0.591103 0.454373 1.60702
C48 C -0.596614 0.432478 1.69543

#END

data_frm_0027
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/a'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,-z
3 -x,-y,-z
4 1/2+x,1/2-y,z
_cell_length_a                   25.479
_cell_length_b                   21.2094
_cell_length_c                   10.9163
_cell_angle_alpha                90
_cell_angle_beta                 82.9795
_cell_angle_gamma                90
_cell_volume                     5854.88
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.769916 0.0529857 0.165832
N2 N 1.01981 0.119366 0.129138
N3 N 0.923684 -0.00154219 -0.34162
N4 N 0.696594 0.164105 0.203922
N5 N 0.666664 0.3233 -0.289845
N6 N 0.773673 0.455405 0.154513
N7 N 1.03086 0.426364 -0.378479
N8 N 1.06387 0.250376 0.091922
N9 N 0.89063 0.475723 0.149744
N10 N 0.990323 0.359403 -0.590686
N11 N 0.737286 0.30996 -0.52992
N12 N 0.899635 0.073366 -0.561524
H1 H 0.773395 0.376 0.267036
H2 H 0.672202 0.240725 -0.117305
H3 H 0.735281 0.275935 0.225285
H4 H 0.84489 -0.00351349 -0.263059
H5 H 0.813766 0.025617 -0.0543451
H6 H 0.918979 0.1042 0.186444
H7 H 0.979354 0.0490362 -0.184283
H8 H 0.826849 0.0944438 0.261843
H9 H 1.03917 0.0948167 -0.0557667
H10 H 1.004 0.290315 0.214769
H11 H 0.900489 0.50436 -0.0343057
H12 H 1.06345 0.30457 -0.120533
H13 H 0.964853 0.462257 -0.192176
H14 H 0.736207 0.423538 -0.0466466
H15 H 0.703573 0.405673 -0.240856
H16 H 0.672572 0.156229 0.028797
H17 H 0.951654 0.37983 0.171313
H18 H 1.07087 0.347039 -0.325732
H19 H 0.832951 0.353323 -0.547672
H20 H 0.820326 0.150564 -0.539533
H21 H 0.973844 0.238968 -0.578091
H22 H 0.917322 0.404933 -0.564143
H23 H 0.740596 0.21205 -0.517031
H24 H 0.969039 0.126054 -0.569071
H25 H 0.744194 0.0861482 0.348881
H26 H 0.714817 0.0151399 0.301761
H27 H 0.666933 0.074237 0.154564
H28 H 0.651003 0.0987707 0.311189
H29 H 1.10039 0.132872 0.0510663
H30 H 1.08925 0.107022 0.207784
H31 H 1.05088 0.210645 0.273673
H32 H 1.11776 0.214905 0.202415
H33 H 0.866863 -0.0359154 -0.454907
H34 H 0.929989 -0.0735747 -0.471285
H35 H 0.972376 0.0218844 -0.568778
H36 H 0.922226 -0.0105068 -0.650892
H37 H 0.672757 0.398807 -0.421412
H38 H 0.613761 0.352585 -0.408605
H39 H 0.663361 0.260645 -0.501961
H40 H 0.666688 0.328388 -0.599892
H41 H 0.77145 0.531475 0.274706
H42 H 0.807333 0.465779 0.324094
H43 H 0.841192 0.551092 0.100465
H44 H 0.864179 0.555669 0.248301
H45 H 1.08519 0.381921 -0.517498
H46 H 1.08121 0.465949 -0.5217
H47 H 0.991318 0.46042 -0.585061
H48 H 1.04076 0.422909 -0.690496
C1 C 0.861211 0.0653658 0.0767375
C2 C 0.911862 0.0845575 0.0977467
C3 C 0.955034 0.0788637 0.00420843
C4 C 0.946759 0.0538562 -0.110412
C5 C 0.895878 0.0343299 -0.133005
C6 C 0.853481 0.0402167 -0.0394155
C7 C 0.816765 0.0719853 0.176521
C8 C 1.00879 0.0989173 0.0250359
C9 C 0.886513 0.00789886 -0.253792
C10 C 0.70235 0.251165 0.0590908
C11 C 0.69065 0.272063 -0.0560138
C12 C 0.702631 0.33433 -0.0955472
C13 C 0.726448 0.375262 -0.0183731
C14 C 0.738466 0.354864 0.0980189
C15 C 0.7264 0.292972 0.13596
C16 C 0.689379 0.185613 0.0978422
C17 C 0.69057 0.357069 -0.217098
C18 C 0.763742 0.397546 0.180518
C19 C 1.0168 0.38397 -0.170853
C20 C 1.03287 0.33891 -0.0895874
C21 C 1.00974 0.336858 0.0345713
C22 C 0.970297 0.380404 0.07604
C23 C 0.953669 0.426117 -0.00490482
C24 C 0.976974 0.427579 -0.127689
C25 C 1.04178 0.384873 -0.300463
C26 C 1.02627 0.289477 0.121533
C27 C 0.911956 0.472398 0.0376551
C28 C 0.907334 0.302337 -0.564172
C29 C 0.852203 0.307369 -0.551234
C30 C 0.820177 0.252898 -0.54232
C31 C 0.844078 0.193466 -0.546415
C32 C 0.89966 0.187628 -0.5594
C33 C 0.93088 0.24204 -0.568113
C34 C 0.939834 0.360317 -0.573208
C35 C 0.761826 0.257454 -0.528417
C36 C 0.925491 0.125097 -0.563661
C37 C 0.729475 0.0618933 0.270307
C38 C 0.682172 0.0989697 0.231879
C39 C 1.07407 0.1377 0.138818
C40 C 1.07675 0.206041 0.185208
C41 C 0.909728 -0.0278836 -0.456082
C42 C 0.929353 0.0147391 -0.566394
C43 C 0.656824 0.350586 -0.406969
C44 C 0.679872 0.308675 -0.515571
C45 C 0.798613 0.492934 0.242648
C46 C 0.85008 0.523183 0.180811
C47 C 1.05796 0.422551 -0.503227
C48 C 1.0181 0.419354 -0.598266

#END

data_frm_0028
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   10.8919
_cell_length_b                   14.1208
_cell_length_c                   22.1531
_cell_angle_alpha                90.9398
_cell_angle_beta                 91.7034
_cell_angle_gamma                118.278
_cell_volume                     2997.46
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.719851 0.662272 0.0433029
N2 N 0.0651081 0.407439 0.104426
N3 N 0.527723 0.37749 0.282727
N4 N 0.846884 0.903266 0.0449664
N5 N 1.02919 1.13896 0.310563
N6 N 0.543269 1.16802 0.148507
N7 N 0.0846419 0.775106 0.417549
N8 N -0.0902183 0.513578 0.158996
N9 N 0.237042 1.03528 0.16869
N10 N 0.291299 0.741996 0.495149
N11 N 0.938435 1.02292 0.426681
N12 N 0.634626 0.502072 0.40082
H1 H 0.538197 1.06915 0.076535
H2 H 0.989543 1.02905 0.210544
H3 H 0.692879 0.993146 0.0669773
H4 H 0.702586 0.482858 0.237
H5 H 0.696565 0.564974 0.143735
H6 H 0.309452 0.525635 0.0628825
H7 H 0.308554 0.368519 0.228253
H8 H 0.522867 0.639138 0.015224
H9 H 0.0909231 0.347419 0.186455
H10 H 0.00287568 0.647155 0.105154
H11 H 0.264262 1.05568 0.262426
H12 H -0.0375711 0.579948 0.271121
H13 H 0.172876 0.912767 0.332519
H14 H 0.723273 1.17547 0.230002
H15 H 0.88255 1.19425 0.312251
H16 H 0.97318 0.923323 0.12177
H17 H 0.114044 0.831134 0.141698
H18 H -0.00257003 0.620915 0.377835
H19 H 0.681472 0.948114 0.456237
H20 H 0.797061 0.707885 0.400916
H21 H 0.380227 0.611581 0.457683
H22 H 0.449443 0.899107 0.485996
H23 H 0.967038 0.894295 0.396837
H24 H 0.437316 0.474834 0.425036
H25 H 0.707331 0.741834 -0.0364329
H26 H 0.829209 0.690794 -0.0353374
H27 H 0.97829 0.828635 0.0424075
H28 H 0.953645 0.883597 -0.0260977
H29 H -0.119384 0.314311 0.15297
H30 H -0.134945 0.29879 0.0724891
H31 H -0.10392 0.4833 0.0632539
H32 H -0.251828 0.39708 0.104826
H33 H 0.727494 0.409232 0.320602
H34 H 0.587698 0.275639 0.32589
H35 H 0.472922 0.338032 0.399506
H36 H 0.643842 0.363701 0.424114
H37 H 1.02771 1.22471 0.391076
H38 H 1.19379 1.24614 0.36716
H39 H 1.13873 1.06087 0.393308
H40 H 1.13581 1.14098 0.45596
H41 H 0.474439 1.26933 0.111209
H42 H 0.39318 1.13799 0.0759741
H43 H 0.348805 1.19726 0.204773
H44 H 0.236136 1.17402 0.139723
H45 H 0.0133193 0.643094 0.47719
H46 H -0.0107246 0.755127 0.49948
H47 H 0.243867 0.868997 0.517629
H48 H 0.170294 0.752869 0.562829
C1 C 0.512283 0.553042 0.0978844
C2 C 0.367132 0.509055 0.0984698
C3 C 0.29194 0.442018 0.145316
C4 C 0.363972 0.419844 0.191501
C5 C 0.510392 0.463675 0.191537
C6 C 0.583523 0.529926 0.144798
C7 C 0.588175 0.623078 0.0482192
C8 C 0.138534 0.394935 0.146542
C9 C 0.587975 0.441084 0.24012
C10 C 0.846025 1.00396 0.134466
C11 C 0.907486 1.04471 0.191848
C12 C 0.864264 1.10699 0.226944
C13 C 0.758839 1.1278 0.203838
C14 C 0.695886 1.08724 0.146016
C15 C 0.739729 1.02555 0.111728
C16 C 0.893459 0.938847 0.098802
C17 C 0.928141 1.15048 0.287748
C18 C 0.584115 1.10837 0.121014
C19 C 0.0657336 0.743281 0.308983
C20 C 0.0152179 0.665432 0.261842
C21 C 0.0316743 0.695922 0.201066
C22 C 0.0995565 0.805249 0.18819
C23 C 0.151086 0.884673 0.23528
C24 C 0.133944 0.853215 0.295306
C25 C 0.0469308 0.708726 0.37223
C26 C -0.0210207 0.614588 0.150751
C27 C 0.223223 1.00057 0.222337
C28 C 0.518582 0.782347 0.459533
C29 C 0.652968 0.863628 0.448655
C30 C 0.754934 0.837986 0.427502
C31 C 0.720466 0.730063 0.417349
C32 C 0.585288 0.647168 0.428084
C33 C 0.485328 0.673828 0.449053
C34 C 0.413979 0.811816 0.481663
C35 C 0.89744 0.923028 0.415707
C36 C 0.547239 0.532695 0.417466
C37 C 0.782866 0.729857 -0.00753487
C38 C 0.901656 0.840494 0.0142655
C39 C -0.0849109 0.357344 0.110459
C40 C -0.137061 0.441169 0.106092
C41 C 0.614793 0.361329 0.327874
C42 C 0.585223 0.387302 0.391872
C43 C 1.08389 1.18528 0.370671
C44 C 1.08087 1.0993 0.413335
C45 C 0.432558 1.18314 0.119586
C46 C 0.309712 1.15093 0.161504
C47 C 0.060716 0.731777 0.477596
C48 C 0.197418 0.780372 0.516569

#END

data_frm_0029
_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                   13.0544
_cell_length_b                   43.324
_cell_length_c                   10.887
_cell_angle_alpha                90
_cell_angle_beta                 71.5996
_cell_angle_gamma                90
_cell_volume                     5842.55
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.623583 0.824289 0.854558
N2 N 0.37345 0.767004 1.42029
N3 N 0.582872 0.903983 1.37217
N4 N 0.486117 0.834731 0.68305
N5 N 0.199447 0.959944 0.797967
N6 N -0.0366042 0.826365 0.879805
N7 N -0.178512 0.884813 1.63517
N8 N 0.131825 0.764311 1.53481
N9 N -0.135044 0.796605 1.13982
N10 N -0.0653265 0.945804 1.61924
N11 N 0.161021 0.998218 1.03858
N12 N 0.454598 0.962574 1.39987
H1 H 0.103073 0.799673 0.836603
H2 H 0.346354 0.917465 0.746088
H3 H 0.283926 0.819553 0.764277
H4 H 0.636672 0.906163 1.17056
H5 H 0.624663 0.864904 1.02865
H6 H 0.459126 0.780042 1.17726
H7 H 0.48323 0.851985 1.44044
H8 H 0.53276 0.786497 0.947135
H9 H 0.386582 0.805733 1.52796
H10 H 0.110571 0.751031 1.36049
H11 H -0.203424 0.837687 1.22796
H12 H 0.0249268 0.814879 1.61124
H13 H -0.184201 0.858087 1.4246
H14 H 0.0185434 0.883962 0.867845
H15 H 0.0487613 0.938644 0.864498
H16 H 0.496944 0.882621 0.692204
H17 H -0.0103974 0.775265 1.26351
H18 H -0.066549 0.861643 1.702
H19 H 0.035627 0.977191 1.25702
H20 H 0.374425 0.978396 1.21979
H21 H 0.141584 0.947052 1.57456
H22 H -0.0968708 0.958846 1.45042
H23 H 0.320189 0.994191 1.03813
H24 H 0.32943 0.946072 1.55714
H25 H 0.599757 0.787688 0.733808
H26 H 0.727868 0.806571 0.683572
H27 H 0.644988 0.854201 0.632372
H28 H 0.62749 0.821279 0.542327
H29 H 0.299887 0.764245 1.62602
H30 H 0.362008 0.729982 1.54489
H31 H 0.219846 0.724588 1.44024
H32 H 0.169569 0.723824 1.61307
H33 H 0.660564 0.945843 1.2862
H34 H 0.685626 0.933 1.4299
H35 H 0.497706 0.945018 1.56104
H36 H 0.571196 0.977728 1.47873
H37 H 0.0612208 0.989614 0.86065
H38 H 0.170523 1.00213 0.724634
H39 H 0.284978 1.01108 0.864177
H40 H 0.163924 1.03349 0.908543
H41 H -0.149057 0.798516 0.83458
H42 H -0.0573447 0.777243 0.893953
H43 H -0.235035 0.821432 1.05088
H44 H -0.242286 0.780292 1.04905
H45 H -0.148256 0.903385 1.8029
H46 H -0.283632 0.905517 1.79834
H47 H -0.230335 0.944301 1.62268
H48 H -0.205732 0.95621 1.76794
C1 C 0.544948 0.821303 1.08778
C2 C 0.487379 0.802952 1.19253
C3 C 0.464536 0.813722 1.32073
C4 C 0.499906 0.843085 1.3425
C5 C 0.558017 0.861874 1.23781
C6 C 0.580115 0.850885 1.11129
C7 C 0.567538 0.809392 0.954569
C8 C 0.403805 0.794599 1.43241
C9 C 0.595756 0.892982 1.25933
C10 C 0.328068 0.867655 0.750067
C11 C 0.290334 0.898077 0.765945
C12 C 0.178536 0.904356 0.808408
C13 C 0.105258 0.879793 0.834721
C14 C 0.142128 0.848973 0.819129
C15 C 0.253201 0.843102 0.777048
C16 C 0.445701 0.861826 0.705593
C17 C 0.137427 0.9364 0.825826
C18 C 0.0656551 0.822765 0.846822
C19 C -0.0832847 0.839223 1.52892
C20 C -0.0114878 0.81566 1.53397
C21 C 0.0155723 0.792307 1.43876
C22 C -0.0300218 0.792937 1.3385
C23 C -0.102552 0.816586 1.33216
C24 C -0.128635 0.83955 1.42725
C25 C -0.10997 0.863376 1.63013
C26 C 0.0914058 0.767263 1.4427
C27 C -0.151279 0.817551 1.22661
C28 C 0.0761896 0.961396 1.42515
C29 C 0.0996758 0.972899 1.29924
C30 C 0.207157 0.979203 1.22376
C31 C 0.290609 0.973793 1.27596
C32 C 0.268178 0.962173 1.40284
C33 C 0.16125 0.956048 1.47648
C34 C -0.0372862 0.955002 1.50181
C35 C 0.233284 0.991327 1.09039
C36 C 0.355599 0.956299 1.45926
C37 C 0.64062 0.810196 0.728569
C38 C 0.602936 0.831854 0.639227
C39 C 0.314276 0.750387 1.53696
C40 C 0.205266 0.738745 1.52854
C41 C 0.62358 0.934795 1.38132
C42 C 0.533425 0.955823 1.46518
C43 C 0.150072 0.990351 0.818849
C44 C 0.196207 1.00999 0.906924
C45 C -0.104001 0.798901 0.90459
C46 C -0.187353 0.799996 1.04097
C47 C -0.198257 0.907236 1.73915
C48 C -0.179277 0.940321 1.68507

#END

data_frm_0030
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   18.6152
_cell_length_b                   10.8864
_cell_length_c                   16.0146
_cell_angle_alpha                66.3992
_cell_angle_beta                 83.8277
_cell_angle_gamma                89.0868
_cell_volume                     2955.4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.762071 0.0449151 0.920947
N2 N 0.885923 -0.177619 1.3169
N3 N 0.539993 -0.16494 1.29403
N4 N 0.799891 -0.115815 0.808292
N5 N 0.600034 -0.651328 0.916757
N6 N 0.942135 -0.701656 0.964617
N7 N 0.764971 -1.00528 1.50434
N8 N 0.946269 -0.451861 1.40574
N9 N 1.00169 -0.779719 1.14548
N10 N 0.60459 -0.977578 1.49722
N11 N 0.499713 -0.772815 1.09112
N12 N 0.447985 -0.4073 1.3264
H1 H 0.964732 -0.498046 0.925397
H2 H 0.655299 -0.41306 0.869043
H3 H 0.87979 -0.323064 0.870685
H4 H 0.544795 -0.0953165 1.1518
H5 H 0.653701 -0.0318268 1.04775
H6 H 0.86359 -0.0874388 1.14606
H7 H 0.670883 -0.195576 1.33833
H8 H 0.857146 -0.00074216 0.983777
H9 H 0.786317 -0.233502 1.39671
H10 H 1.00206 -0.442794 1.28331
H11 H 0.92262 -0.929802 1.21521
H12 H 0.859336 -0.660073 1.47011
H13 H 0.849469 -0.954286 1.35423
H14 H 0.805012 -0.733825 0.962055
H15 H 0.680134 -0.789722 0.966061
H16 H 0.693491 -0.183117 0.820829
H17 H 0.996629 -0.612423 1.22383
H18 H 0.774395 -0.845595 1.54334
H19 H 0.553409 -0.892881 1.24529
H20 H 0.459109 -0.511973 1.20628
H21 H 0.548603 -0.744408 1.45818
H22 H 0.606458 -1.02378 1.38266
H23 H 0.463132 -0.587364 1.08404
H24 H 0.49946 -0.530693 1.43857
H25 H 0.861772 0.0860988 0.832735
H26 H 0.791244 0.202088 0.795328
H27 H 0.719431 0.0337971 0.769457
H28 H 0.805728 0.074083 0.702898
H29 H 0.88746 -0.268771 1.46269
H30 H 0.952895 -0.137411 1.39904
H31 H 1.01765 -0.281564 1.33096
H32 H 1.01235 -0.347755 1.45321
H33 H 0.439122 -0.141165 1.23687
H34 H 0.441752 -0.101006 1.33422
H35 H 0.453406 -0.340196 1.43457
H36 H 0.37283 -0.306294 1.37886
H37 H 0.568282 -0.859429 0.969908
H38 H 0.527218 -0.748635 0.872621
H39 H 0.458467 -0.643678 0.966566
H40 H 0.439565 -0.819398 1.00528
H41 H 1.03909 -0.779221 0.933691
H42 H 1.05112 -0.644954 0.968533
H43 H 0.988039 -0.927277 1.09086
H44 H 1.07814 -0.867539 1.08421
H45 H 0.696124 -1.01254 1.62255
H46 H 0.73062 -1.16782 1.62495
H47 H 0.654266 -1.16068 1.50586
H48 H 0.604023 -1.16188 1.6077
C1 C 0.762136 -0.0533197 1.08606
C2 C 0.804802 -0.0943918 1.15874
C3 C 0.77255 -0.145938 1.25042
C4 C 0.697174 -0.155946 1.26823
C5 C 0.653417 -0.114977 1.19563
C6 C 0.686136 -0.0640184 1.10512
C7 C 0.797512 0.000145957 0.990747
C8 C 0.816928 -0.189732 1.32795
C9 C 0.573664 -0.125183 1.21342
C10 C 0.766313 -0.351817 0.865678
C11 C 0.71016 -0.445313 0.882397
C12 C 0.723332 -0.583914 0.917204
C13 C 0.79334 -0.627431 0.935026
C14 C 0.850545 -0.534289 0.918476
C15 C 0.83668 -0.397185 0.884016
C16 C 0.750787 -0.207272 0.829299
C17 C 0.66448 -0.683987 0.935355
C18 C 0.924814 -0.578771 0.937149
C19 C 0.848246 -0.81649 1.42035
C20 C 0.877521 -0.697334 1.41781
C21 C 0.931344 -0.622458 1.34723
C22 C 0.955269 -0.668336 1.27927
C23 C 0.926213 -0.788338 1.28093
C24 C 0.872911 -0.861516 1.35135
C25 C 0.791865 -0.89266 1.49521
C26 C 0.962758 -0.496272 1.34357
C27 C 0.950943 -0.837971 1.20945
C28 C 0.554939 -0.831977 1.35864
C29 C 0.539171 -0.816565 1.2716
C30 C 0.504459 -0.701416 1.21569
C31 C 0.48586 -0.602104 1.24805
C32 C 0.501449 -0.616212 1.33569
C33 C 0.535878 -0.730896 1.39033
C34 C 0.59141 -0.953787 1.4156
C35 C 0.487519 -0.683583 1.12345
C36 C 0.482214 -0.511931 1.37078
C37 C 0.802772 0.0952491 0.830583
C38 C 0.778234 0.022926 0.772807
C39 C 0.923882 -0.224118 1.3982
C40 C 0.980743 -0.326854 1.39498
C41 C 0.461526 -0.170563 1.30305
C42 C 0.431969 -0.311778 1.36788
C43 C 0.546593 -0.758211 0.937427
C44 C 0.480761 -0.744319 0.999665
C45 C 1.01685 -0.733699 0.980742
C46 C 1.02146 -0.837777 1.07915
C47 C 0.709941 -1.071 1.58063
C48 C 0.640598 -1.10073 1.54677

#END

data_frm_0031
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   13.0537
_cell_length_b                   24.6487
_cell_length_c                   10.8926
_cell_angle_alpha                64.3776
_cell_angle_beta                 71.8911
_cell_angle_gamma                83.8997
_cell_volume                     3001.97
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.339681 0.0419124 0.41202
N2 N 0.609237 0.0998804 0.75349
N3 N 0.664407 0.276273 0.0886315
N4 N 0.0988803 0.0469341 0.520563
N5 N -0.0936293 0.314458 0.30986
N6 N -0.145029 0.154251 0.981098
N7 N 0.294576 0.41686 0.787734
N8 N 0.513909 0.155962 0.958734
N9 N -0.00684128 0.172802 1.13574
N10 N 0.338537 0.493327 0.473353
N11 N 0.0418548 0.428442 0.172283
N12 N 0.558887 0.395477 -0.0113665
H1 H -0.0584041 0.0811867 0.959723
H2 H -0.000326417 0.21337 0.339568
H3 H 0.0143504 0.0703534 0.740508
H4 H 0.55042 0.232074 0.0629188
H5 H 0.453337 0.140472 0.241074
H6 H 0.482564 0.0599485 0.66712
H7 H 0.666276 0.222218 0.351429
H8 H 0.359821 0.0138929 0.612917
H9 H 0.682303 0.180607 0.588363
H10 H 0.371204 0.104197 1.05009
H11 H -0.0119469 0.266344 1.03669
H12 H 0.465837 0.268443 0.861462
H13 H 0.142713 0.33413 0.918528
H14 H -0.140576 0.23522 0.729261
H15 H -0.147114 0.317135 0.508444
H16 H 0.0904634 0.123492 0.339167
H17 H 0.193069 0.14312 1.08422
H18 H 0.442327 0.375189 0.762112
H19 H 0.123462 0.457102 0.325578
H20 H 0.35255 0.398375 0.0289445
H21 H 0.461442 0.454018 0.293569
H22 H 0.179197 0.486308 0.4792
H23 H 0.164766 0.396824 0.0468086
H24 H 0.591726 0.41944 0.134515
H25 H 0.247436 -0.0362541 0.58086
H26 H 0.297365 -0.0360784 0.408364
H27 H 0.171618 0.0431153 0.319012
H28 H 0.105819 -0.0242185 0.464743
H29 H 0.711594 0.147077 0.798021
H30 H 0.713912 0.0667828 0.877275
H31 H 0.528395 0.060244 1.03662
H32 H 0.622392 0.10055 1.05839
H33 H 0.637303 0.314162 -0.116223
H34 H 0.772417 0.317653 -0.113434
H35 H 0.723436 0.391984 -0.0101838
H36 H 0.700435 0.416625 -0.179266
H37 H -0.16573 0.395836 0.316515
H38 H -0.192466 0.372137 0.195706
H39 H -0.00318361 0.395516 0.0429443
H40 H -0.0726068 0.459041 0.0630184
H41 H -0.251453 0.118711 1.18569
H42 H -0.125771 0.0818277 1.1722
H43 H -0.163167 0.210938 1.14814
H44 H -0.149768 0.146003 1.30132
H45 H 0.436487 0.474374 0.67055
H46 H 0.328818 0.498235 0.782614
H47 H 0.216185 0.517617 0.623215
H48 H 0.339919 0.561003 0.538039
C1 C 0.459265 0.0949125 0.457782
C2 C 0.504431 0.0950426 0.558507
C3 C 0.579571 0.140787 0.521528
C4 C 0.608622 0.186324 0.382743
C5 C 0.563708 0.186817 0.279998
C6 C 0.489401 0.141171 0.31813
C7 C 0.380679 0.0464071 0.499774
C8 C 0.627991 0.141522 0.626788
C9 C 0.593527 0.23473 0.13291
C10 C 0.0133786 0.137478 0.53245
C11 C -0.0182786 0.195095 0.454969
C12 C -0.0741254 0.230995 0.524697
C13 C -0.0977325 0.208441 0.672729
C14 C -0.0663427 0.150381 0.752331
C15 C -0.0109484 0.115308 0.68176
C16 C 0.0719176 0.100972 0.456301
C17 C -0.107982 0.29206 0.444144
C18 C -0.0905162 0.125962 0.908862
C19 C 0.30854 0.308378 0.881848
C20 C 0.378728 0.260385 0.901959
C21 C 0.338201 0.200331 0.975175
C22 C 0.226629 0.189027 1.02759
C23 C 0.154848 0.236983 1.00806
C24 C 0.196212 0.296281 0.935329
C25 C 0.353538 0.370828 0.804566
C26 C 0.411353 0.149129 0.997155
C27 C 0.0366762 0.225695 1.06278
C28 C 0.290488 0.458164 0.32172
C29 C 0.206596 0.44836 0.278436
C30 C 0.227739 0.42679 0.172531
C31 C 0.33383 0.415152 0.110843
C32 C 0.419337 0.424812 0.153446
C33 C 0.397117 0.446194 0.258541
C34 C 0.26571 0.480767 0.433038
C35 C 0.139869 0.416112 0.125774
C36 C 0.531904 0.412616 0.0893412
C37 C 0.263449 -0.00777114 0.465558
C38 C 0.155845 0.0153869 0.434552
C39 C 0.661426 0.10536 0.847698
C40 C 0.577699 0.102316 0.986198
C41 C 0.687184 0.320853 -0.0582209
C42 C 0.672132 0.384964 -0.0660913
C43 C -0.13032 0.374879 0.241893
C44 C -0.0376496 0.416087 0.118606
C45 C -0.163886 0.125837 1.13452
C46 C -0.123822 0.167248 1.18403
C47 C 0.347833 0.47601 0.71006
C48 C 0.304674 0.515338 0.583449

#END

data_frm_0032
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/a'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,-z
3 -x,-y,-z
4 1/2+x,1/2-y,z
_cell_length_a                   23.5045
_cell_length_b                   13.1419
_cell_length_c                   19.0712
_cell_angle_alpha                90
_cell_angle_beta                 98.3137
_cell_angle_gamma                90
_cell_volume                     5829.07
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.605467 0.0237461 0.459264
N2 N 0.380453 0.218284 0.269613
N3 N 0.599119 0.0798361 0.120341
N4 N 0.586059 -0.175596 0.529225
N5 N 0.583596 -0.573068 0.327397
N6 N 0.353695 -0.44477 0.457232
N7 N 0.256999 -0.309595 0.0350684
N8 N 0.271082 0.102539 0.22387
N9 N 0.253218 -0.336729 0.37397
N10 N 0.3612 -0.354295 -0.0343489
N11 N 0.574441 -0.56346 0.168697
N12 N 0.603631 -0.114073 0.0379609
H1 H 0.386483 -0.312052 0.507552
H2 H 0.604967 -0.408409 0.400965
H3 H 0.483912 -0.254024 0.513622
H4 H 0.648213 0.0205524 0.210924
H5 H 0.622333 0.0263246 0.328068
H6 H 0.457644 0.141554 0.365665
H7 H 0.501878 0.141114 0.153989
H8 H 0.52216 0.0750014 0.46398
H9 H 0.40881 0.202335 0.171566
H10 H 0.273113 0.0319849 0.322056
H11 H 0.255505 -0.425168 0.283678
H12 H 0.269505 -0.0376088 0.128157
H13 H 0.256675 -0.359574 0.166371
H14 H 0.432054 -0.522866 0.391208
H15 H 0.49701 -0.609264 0.325199
H16 H 0.635407 -0.256924 0.466055
H17 H 0.263499 -0.14765 0.339963
H18 H 0.268195 -0.152545 0.0301249
H19 H 0.477681 -0.511243 0.0946742
H20 H 0.612303 -0.286554 0.104271
H21 H 0.446806 -0.228287 -0.0188593
H22 H 0.384138 -0.481048 0.0291926
H23 H 0.630986 -0.441009 0.170872
H24 H 0.519423 -0.0989901 -0.0130127
H25 H 0.576845 0.0217258 0.561025
H26 H 0.650381 0.0539483 0.558982
H27 H 0.671882 -0.122539 0.5261
H28 H 0.645177 -0.112863 0.608872
H29 H 0.322751 0.26634 0.178172
H30 H 0.32378 0.340213 0.256941
H31 H 0.278409 0.199486 0.315134
H32 H 0.235817 0.245143 0.236198
H33 H 0.680529 0.0142374 0.107781
H34 H 0.65864 0.124205 0.0558575
H35 H 0.581722 0.0262639 -0.0166948
H36 H 0.652177 -0.0228128 -0.0196525
H37 H 0.551686 -0.701462 0.264295
H38 H 0.623207 -0.710322 0.310526
H39 H 0.65693 -0.580287 0.232175
H40 H 0.626894 -0.690678 0.186216
H41 H 0.289971 -0.492601 0.514611
H42 H 0.296319 -0.357359 0.511199
H43 H 0.251085 -0.498662 0.386988
H44 H 0.20866 -0.424508 0.438409
H45 H 0.264396 -0.245943 -0.0666942
H46 H 0.2157 -0.349871 -0.0646463
H47 H 0.296695 -0.468799 -0.0310374
H48 H 0.298438 -0.406684 -0.114006
C1 C 0.542013 0.0813585 0.355333
C2 C 0.488562 0.124375 0.329927
C3 C 0.473453 0.146543 0.257202
C4 C 0.512475 0.124944 0.210394
C5 C 0.566544 0.0814989 0.235229
C6 C 0.580943 0.0599911 0.307443
C7 C 0.556577 0.0589071 0.431809
C8 C 0.417137 0.192014 0.229564
C9 C 0.608203 0.0580797 0.186338
C10 C 0.549193 -0.322618 0.460489
C11 C 0.5623 -0.401769 0.416488
C12 C 0.520373 -0.474885 0.391034
C13 C 0.465276 -0.467588 0.410193
C14 C 0.451427 -0.388173 0.454562
C15 C 0.493418 -0.316187 0.479364
C16 C 0.59403 -0.247105 0.486233
C17 C 0.53356 -0.558932 0.344373
C18 C 0.393344 -0.379331 0.475167
C19 C 0.262911 -0.201449 0.13883
C20 C 0.266628 -0.101342 0.16402
C21 C 0.266792 -0.0806069 0.236634
C22 C 0.263321 -0.161382 0.283596
C23 C 0.259568 -0.26275 0.258951
C24 C 0.259423 -0.282113 0.186818
C25 C 0.262871 -0.220692 0.0624127
C26 C 0.270756 0.02477 0.264077
C27 C 0.255939 -0.348919 0.308013
C28 C 0.455598 -0.372945 0.0346593
C29 C 0.492254 -0.437029 0.0789962
C30 C 0.549086 -0.406916 0.104562
C31 C 0.568632 -0.311898 0.0852177
C32 C 0.532135 -0.246377 0.0405481
C33 C 0.475913 -0.277272 0.0156266
C34 C 0.396248 -0.406661 0.00875607
C35 C 0.588343 -0.473781 0.151567
C36 C 0.552158 -0.1456 0.0197322
C37 C 0.61487 0.00488301 0.535125
C38 C 0.633354 -0.106111 0.551068
C39 C 0.326505 0.262314 0.236527
C40 C 0.274965 0.202468 0.256774
C41 C 0.643239 0.0533548 0.0775302
C42 C 0.618387 -0.0136484 0.0142373
C43 C 0.591618 -0.658276 0.281271
C44 C 0.616556 -0.622305 0.215175
C45 C 0.298218 -0.428286 0.48056
C46 C 0.249688 -0.42708 0.417007
C47 C 0.257564 -0.319178 -0.040672
C48 C 0.303979 -0.395165 -0.0562802

#END

data_frm_0033
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'A 2/n'
_symmetry_Int_Tables_number      15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 x,1/2+y,1/2+z
3 1/2-x,y,1/2-z
4 1/2-x,1/2+y,-z
5 -x,-y,-z
6 -x,1/2-y,1/2-z
7 1/2+x,-y,1/2+z
8 1/2+x,1/2-y,z
_cell_length_a                   36.7469
_cell_length_b                   10.9514
_cell_length_c                   29.1316
_cell_angle_alpha                90
_cell_angle_beta                 94.2875
_cell_angle_gamma                90
_cell_volume                     11690.6
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.542161 1.31118 0.456017
N2 N 0.718978 1.31045 0.463292
N3 N 0.628576 1.79363 0.394458
N4 N 0.510244 1.28363 0.547451
N5 N 0.505674 1.77869 0.668948
N6 N 0.604592 1.32013 0.744187
N7 N 0.763723 1.81259 0.684269
N8 N 0.767462 1.34039 0.550335
N9 N 0.685961 1.30751 0.739821
N10 N 0.722989 2.03004 0.643844
N11 N 0.547002 2.0072 0.649107
N12 N 0.619957 2.01569 0.453183
H1 H 0.594442 1.20856 0.686703
H2 H 0.499943 1.60656 0.607953
H3 H 0.553249 1.25616 0.6213
H4 H 0.576777 1.72711 0.40543
H5 H 0.563768 1.5239 0.430352
H6 H 0.650075 1.26841 0.46849
H7 H 0.676091 1.62862 0.420946
H8 H 0.58812 1.20704 0.476056
H9 H 0.725192 1.49169 0.443457
H10 H 0.735353 1.22684 0.588091
H11 H 0.693752 1.48906 0.759685
H12 H 0.771706 1.55164 0.590332
H13 H 0.72797 1.63681 0.719805
H14 H 0.571346 1.52599 0.728395
H15 H 0.543546 1.72413 0.721829
H16 H 0.490019 1.46149 0.546555
H17 H 0.712905 1.27743 0.661019
H18 H 0.779586 1.75454 0.620613
H19 H 0.6173 2.01053 0.664794
H20 H 0.578692 2.0052 0.52133
H21 H 0.694161 2.02047 0.560054
H22 H 0.681299 2.01422 0.688224
H23 H 0.534809 1.99431 0.57826
H24 H 0.674229 2.0127 0.479766
H25 H 0.532936 1.1327 0.483077
H26 H 0.501848 1.18424 0.437122
H27 H 0.476107 1.33753 0.488019
H28 H 0.471716 1.18393 0.507437
H29 H 0.7737 1.37617 0.460303
H30 H 0.765012 1.22198 0.442788
H31 H 0.755871 1.16164 0.523037
H32 H 0.80014 1.22263 0.515598
H33 H 0.583449 1.91491 0.379575
H34 H 0.619878 1.92204 0.342394
H35 H 0.66091 2.01237 0.404482
H36 H 0.621074 2.10163 0.389792
H37 H 0.518829 1.90838 0.722785
H38 H 0.472598 1.90457 0.699126
H39 H 0.490542 1.99053 0.625583
H40 H 0.501252 2.08719 0.674125
H41 H 0.616485 1.20054 0.798531
H42 H 0.631561 1.14637 0.745343
H43 H 0.663249 1.36352 0.802151
H44 H 0.681824 1.21298 0.800979
H45 H 0.791175 1.94309 0.644258
H46 H 0.800991 1.94749 0.705209
H47 H 0.738848 2.02386 0.716135
H48 H 0.764614 2.12162 0.681724
C1 C 0.603708 1.38629 0.450539
C2 C 0.640892 1.3578 0.45598
C3 C 0.667408 1.44453 0.44536
C4 C 0.656197 1.55991 0.429324
C5 C 0.6188 1.59 0.423677
C6 C 0.592828 1.50312 0.434313
C7 C 0.576583 1.29354 0.461995
C8 C 0.706791 1.41576 0.450932
C9 C 0.606551 1.7117 0.40683
C10 C 0.524672 1.42653 0.609688
C11 C 0.518022 1.5427 0.62714
C12 C 0.534691 1.57999 0.670077
C13 C 0.558064 1.49951 0.695201
C14 C 0.565029 1.382 0.678039
C15 C 0.548338 1.34629 0.635413
C16 C 0.506839 1.39016 0.56457
C17 C 0.527963 1.70264 0.688943
C18 C 0.589736 1.29598 0.704154
C19 C 0.751452 1.60825 0.655111
C20 C 0.756862 1.52521 0.61977
C21 C 0.743138 1.4051 0.621446
C22 C 0.723888 1.36948 0.65888
C23 C 0.718217 1.45227 0.694766
C24 C 0.731994 1.57101 0.69265
C25 C 0.766155 1.73353 0.652339
C26 C 0.7486 1.31633 0.584339
C27 C 0.697877 1.4159 0.73453
C28 C 0.659275 2.01617 0.616233
C29 C 0.62329 2.01143 0.628719
C30 C 0.593827 2.00754 0.594787
C31 C 0.600905 2.00834 0.548293
C32 C 0.637081 2.01306 0.535158
C33 C 0.665988 2.01688 0.569176
C34 C 0.689571 2.02011 0.652607
C35 C 0.555629 2.00232 0.607454
C36 C 0.644983 2.01376 0.486117
C37 C 0.518129 1.21316 0.468451
C38 C 0.491313 1.25823 0.502917
C39 C 0.758257 1.29272 0.467608
C40 C 0.771035 1.24587 0.515974
C41 C 0.613365 1.9097 0.378392
C42 C 0.631038 2.0164 0.406329
C43 C 0.501188 1.89658 0.690697
C44 C 0.508554 2.00142 0.657429
C45 C 0.6284 1.22859 0.766642
C46 C 0.666384 1.28238 0.7803
C47 C 0.779227 1.93274 0.677754
C48 C 0.750438 2.03321 0.682388

#END

data_frm_0034
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'A n'
_symmetry_Int_Tables_number      9
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 x,1/2+y,1/2+z
3 1/2+x,-y,1/2+z
4 1/2+x,1/2-y,z
_cell_length_a                   17.9252
_cell_length_b                   29.3657
_cell_length_c                   10.8952
_cell_angle_alpha                90
_cell_angle_beta                 90.4913
_cell_angle_gamma                90
_cell_volume                     5734.87
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.737019 0.927724 0.183987
N2 N 0.745626 0.809872 0.687301
N3 N 0.94115 0.745783 0.219947
N4 N 0.797502 1.02287 0.204497
N5 N 1.15789 1.03974 0.186399
N6 N 0.980733 1.09883 0.677744
N7 N 1.19272 0.865788 0.916221
N8 N 0.834057 0.836606 0.911609
N9 N 0.971863 1.04074 0.904218
N10 N 1.2729 0.829901 0.695221
N11 N 1.26228 0.960258 0.214916
N12 N 1.10619 0.761097 0.198154
H1 H 0.874463 1.08027 0.616926
H2 H 1.01697 1.02492 0.151281
H3 H 0.844786 1.05253 0.415092
H4 H 0.914386 0.800563 0.106115
H5 H 0.827969 0.860118 0.155324
H6 H 0.726657 0.868437 0.512186
H7 H 0.87712 0.758287 0.429461
H8 H 0.699611 0.926952 0.364645
H9 H 0.824587 0.762308 0.63098
H10 H 0.805018 0.905104 0.896174
H11 H 1.0838 1.02179 0.896553
H12 H 0.978147 0.830596 0.908011
H13 H 1.12909 0.944894 0.905791
H14 H 1.0753 1.07799 0.508477
H15 H 1.17353 1.06148 0.366935
H16 H 0.889872 1.0085 0.0962841
H17 H 0.891446 0.967536 0.900304
H18 H 1.10991 0.816061 0.906124
H19 H 1.27817 0.922428 0.428278
H20 H 1.15624 0.842637 0.161638
H21 H 1.1982 0.788688 0.52375
H22 H 1.30053 0.894748 0.63252
H23 H 1.1968 0.917667 0.10541
H24 H 1.12748 0.743616 0.380575
H25 H 0.665417 0.982374 0.239157
H26 H 0.654032 0.961553 0.0861757
H27 H 0.776172 0.993707 0.0272943
H28 H 0.711421 1.03536 0.0803847
H29 H 0.778618 0.759154 0.818447
H30 H 0.68299 0.776206 0.818458
H31 H 0.717391 0.852193 0.899575
H32 H 0.744045 0.806169 0.997855
H33 H 0.991822 0.747143 0.0424982
H34 H 0.965485 0.692731 0.100944
H35 H 1.06491 0.696516 0.259398
H36 H 1.09901 0.699337 0.106075
H37 H 1.27072 1.05063 0.246395
H38 H 1.2484 1.06576 0.0916483
H39 H 1.23314 0.98463 0.0353653
H40 H 1.32419 0.998441 0.0920052
H41 H 0.962972 1.14999 0.805699
H42 H 0.890837 1.10805 0.803955
H43 H 1.05239 1.09457 0.89427
H44 H 0.972638 1.10427 0.987787
H45 H 1.22871 0.796211 0.911288
H46 H 1.28152 0.834385 1.00553
H47 H 1.32962 0.874007 0.822006
H48 H 1.353 0.814911 0.827938
C1 C 0.772998 0.8689 0.328807
C2 C 0.763155 0.851495 0.447064
C3 C 0.800394 0.811452 0.484764
C4 C 0.847589 0.7892 0.402676
C5 C 0.858111 0.806364 0.283105
C6 C 0.820803 0.84606 0.246988
C7 C 0.73327 0.910951 0.29203
C8 C 0.790543 0.792633 0.609425
C9 C 0.907945 0.783248 0.195384
C10 C 0.924225 1.03712 0.273677
C11 C 0.999572 1.03668 0.24148
C12 C 1.0549 1.0514 0.325423
C13 C 1.03375 1.06652 0.441799
C14 C 0.957954 1.06716 0.475583
C15 C 0.903708 1.05244 0.391432
C16 C 0.867561 1.02143 0.183747
C17 C 1.13482 1.05106 0.292747
C18 C 0.934738 1.08296 0.598356
C19 C 1.06106 0.884457 0.907481
C20 C 0.988331 0.867172 0.906819
C21 C 0.926364 0.896791 0.90443
C22 C 0.938225 0.943867 0.902467
C23 C 1.01128 0.961796 0.903067
C24 C 1.07215 0.932005 0.90549
C25 C 1.12485 0.852518 0.909916
C26 C 0.849172 0.879042 0.903592
C27 C 1.02465 1.0115 0.900852
C28 C 1.24175 0.855832 0.490003
C29 C 1.24895 0.891054 0.404537
C30 C 1.21839 0.886791 0.285324
C31 C 1.18054 0.846861 0.253019
C32 C 1.17278 0.811021 0.338274
C33 C 1.20337 0.815753 0.456088
C34 C 1.27435 0.86134 0.614262
C35 C 1.22546 0.923772 0.193986
C36 C 1.13279 0.76862 0.305498
C37 C 0.695371 0.969154 0.158493
C38 C 0.74706 1.00667 0.109043
C39 C 0.740533 0.788467 0.807105
C40 C 0.756077 0.823145 0.910179
C41 C 0.988622 0.726187 0.126412
C42 C 1.06805 0.718117 0.176691
C43 C 1.23772 1.04073 0.164556
C44 C 1.26546 0.994246 0.118226
C45 C 0.95157 1.11337 0.795481
C46 C 0.991755 1.08867 0.901749
C47 C 1.25073 0.831282 0.918175
C48 C 1.30687 0.839142 0.814165

#END

data_frm_0035
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/a'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,-z
3 -x,-y,-z
4 1/2+x,1/2-y,z
_cell_length_a                   23.5525
_cell_length_b                   18.7996
_cell_length_c                   13.1957
_cell_angle_alpha                90
_cell_angle_beta                 95.1824
_cell_angle_gamma                90
_cell_volume                     5818.88
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.244466 0.074585 0.227397
N2 N 0.229942 0.25538 0.642822
N3 N 0.248087 0.419436 0.214612
N4 N 0.141311 -0.0139516 0.162706
N5 N -0.0699883 0.157128 -0.073728
N6 N -0.0993573 0.0105255 0.363271
N7 N -0.101543 0.435178 0.516703
N8 N 0.121347 0.279715 0.741175
N9 N -0.0952469 0.0915214 0.560136
N10 N -0.0822129 0.513326 0.324096
N11 N -0.079291 0.316561 -0.0790838
N12 N 0.148536 0.487361 0.0930341
H1 H -0.0157956 -0.0257644 0.390989
H2 H 0.0258863 0.0986744 -0.0082683
H3 H 0.0563561 -0.0161477 0.274335
H4 H 0.246003 0.329127 0.12265
H5 H 0.244878 0.208751 0.182998
H6 H 0.231915 0.161375 0.499815
H7 H 0.237797 0.379392 0.399868
H8 H 0.23351 0.0644569 0.381759
H9 H 0.228301 0.356005 0.576284
H10 H 0.0933969 0.175487 0.716013
H11 H -0.143881 0.175584 0.496261
H12 H 0.0449662 0.364654 0.655123
H13 H -0.118206 0.299003 0.511025
H14 H -0.107801 0.0796565 0.192884
H15 H -0.126273 0.14658 0.0385414
H16 H 0.118668 0.0487419 0.0351806
H17 H 0.00106203 0.142022 0.638807
H18 H -0.018903 0.453982 0.581579
H19 H -0.100686 0.384211 0.0841714
H20 H 0.0708707 0.407834 -0.000765347
H21 H 0.0190838 0.517552 0.262653
H22 H -0.13106 0.441864 0.232261
H23 H 0.00659483 0.330588 -0.100255
H24 H 0.115682 0.530275 0.221203
H25 H 0.237292 -0.0312319 0.285452
H26 H 0.285573 -0.0182341 0.190304
H27 H 0.205304 0.00320821 0.0596635
H28 H 0.20358 -0.0823712 0.11805
H29 H 0.222591 0.344672 0.741833
H30 H 0.264727 0.271416 0.791239
H31 H 0.178509 0.196453 0.795058
H32 H 0.177413 0.274682 0.87175
H33 H 0.250582 0.436096 0.0543759
H34 H 0.292279 0.494655 0.137574
H35 H 0.205135 0.551079 0.191838
H36 H 0.211619 0.558161 0.0584387
H37 H -0.151828 0.20673 -0.102466
H38 H -0.121782 0.167644 -0.208782
H39 H -0.047283 0.260725 -0.203609
H40 H -0.118259 0.294736 -0.223113
H41 H -0.147578 -0.0582904 0.443759
H42 H -0.0778114 -0.0433311 0.504793
H43 H -0.175805 0.0652336 0.480135
H44 H -0.154402 0.0145839 0.591552
H45 H -0.0731015 0.543517 0.523357
H46 H -0.146063 0.527609 0.543003
H47 H -0.167321 0.493501 0.362419
H48 H -0.140949 0.582165 0.379735
C1 C 0.238548 0.176567 0.338275
C2 C 0.234752 0.199478 0.438285
C3 C 0.234503 0.272721 0.461768
C4 C 0.238001 0.322553 0.383881
C5 C 0.241824 0.300238 0.282627
C6 C 0.242061 0.227485 0.260483
C7 C 0.23865 0.0994661 0.316027
C8 C 0.230522 0.297752 0.567087
C9 C 0.24546 0.352309 0.199468
C10 C 0.0476869 0.0392817 0.130818
C11 C 0.0113571 0.0787202 0.0624934
C12 C -0.0450485 0.0937264 0.0838494
C13 C -0.0645006 0.0687532 0.174396
C14 C -0.0283399 0.0288721 0.244047
C15 C 0.0274919 0.0144457 0.221902
C16 C 0.106586 0.0245075 0.106352
C17 C -0.0839439 0.135467 0.0123919
C18 C -0.0482425 0.00222968 0.340177
C19 C -0.0386452 0.340074 0.580541
C20 C 0.0143075 0.32314 0.631458
C21 C 0.0292784 0.251737 0.653249
C22 C -0.00940149 0.197626 0.623216
C23 C -0.0629755 0.213911 0.571778
C24 C -0.0772273 0.284936 0.550744
C25 C -0.0530647 0.415438 0.558753
C26 C 0.0851042 0.232997 0.706912
C27 C -0.10427 0.157224 0.53947
C28 C -0.0455092 0.453144 0.181348
C29 C -0.058387 0.407576 0.0986667
C30 C -0.0167623 0.39072 0.0320285
C31 C 0.0378296 0.420004 0.049369
C32 C 0.0514609 0.466047 0.132501
C33 C 0.00975683 0.48226 0.197892
C34 C -0.0900598 0.469748 0.24987
C35 C -0.0297033 0.342546 -0.0556373
C36 C 0.109031 0.497325 0.151907
C37 C 0.244037 -0.00219111 0.214807
C38 C 0.198061 -0.0249948 0.130719
C39 C 0.225935 0.286046 0.742943
C40 C 0.174771 0.255026 0.792919
C41 C 0.251668 0.465428 0.12702
C42 C 0.203425 0.52094 0.119825
C43 C -0.111698 0.197645 -0.13784
C44 C -0.0870202 0.269872 -0.166956
C45 C -0.114141 -0.017941 0.459862
C46 C -0.138953 0.0405909 0.524546
C47 C -0.110851 0.5107 0.499183
C48 C -0.129135 0.525614 0.386223

#END

data_frm_0036
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
_cell_length_a                   20.7438
_cell_length_b                   19.4001
_cell_length_c                   14.7053
_cell_angle_alpha                90
_cell_angle_beta                 90.9164
_cell_angle_gamma                90
_cell_volume                     5917.12
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.11409 0.239546 0.853962
N2 N 0.344168 0.389297 0.635205
N3 N 0.322635 0.0557972 0.636736
N4 N -0.0198697 0.269556 0.784045
N5 N -0.111337 0.0918359 0.431562
N6 N -0.0829755 0.42389 0.401682
N7 N 0.222202 0.29626 0.092093
N8 N 0.326229 0.456672 0.452492
N9 N 0.0296008 0.494881 0.316021
N10 N 0.221665 0.141644 0.105116
N11 N -0.0211295 0.00956011 0.316106
N12 N 0.268668 -0.0273267 0.480927
H1 H -0.0479736 0.440406 0.533509
H2 H -0.0710452 0.138679 0.587178
H3 H -0.0361595 0.353022 0.648135
H4 H 0.237949 0.049387 0.710726
H5 H 0.182479 0.145613 0.775803
H6 H 0.243826 0.354571 0.727098
H7 H 0.349416 0.184844 0.612623
H8 H 0.149185 0.335748 0.815483
H9 H 0.38408 0.300161 0.58045
H10 H 0.238629 0.501279 0.487308
H11 H 0.0328887 0.42578 0.207636
H12 H 0.307089 0.380331 0.310147
H13 H 0.127676 0.365906 0.159256
H14 H -0.0982947 0.292587 0.378491
H15 H -0.115842 0.173772 0.339962
H16 H -0.034158 0.169198 0.737349
H17 H 0.1407 0.49374 0.398674
H18 H 0.301747 0.306257 0.179508
H19 H 0.0580999 0.0734888 0.211031
H20 H 0.146043 -0.0240894 0.445487
H21 H 0.264175 0.0824843 0.252104
H22 H 0.121317 0.135723 0.103226
H23 H 0.0308367 -0.028152 0.427865
H24 H 0.315315 0.0314937 0.383247
H25 H 0.0632795 0.328336 0.901784
H26 H 0.0699081 0.256698 0.97757
H27 H -0.00400397 0.187899 0.88
H28 H -0.0391926 0.265402 0.921982
H29 H 0.424941 0.402279 0.547695
H30 H 0.419995 0.458951 0.643037
H31 H 0.3253 0.517805 0.573905
H32 H 0.396075 0.522257 0.50647
H33 H 0.284796 -0.0452954 0.660604
H34 H 0.370447 -0.0362453 0.662883
H35 H 0.370956 -0.0151246 0.497042
H36 H 0.337862 -0.0967798 0.527325
H37 H -0.137529 0.0675868 0.293602
H38 H -0.176721 0.0199662 0.380709
H39 H -0.0750155 -0.0404269 0.420342
H40 H -0.101556 -0.053748 0.3055
H41 H -0.128148 0.515519 0.365215
H42 H -0.0596142 0.528025 0.438386
H43 H -0.0579668 0.479555 0.239266
H44 H -0.042042 0.564788 0.279563
H45 H 0.306891 0.23881 0.0588768
H46 H 0.260818 0.273831 -0.0337857
H47 H 0.171913 0.191982 -0.00515547
H48 H 0.246688 0.151145 -0.0304471
C1 C 0.20708 0.252584 0.757805
C2 C 0.249726 0.299199 0.718155
C3 C 0.301519 0.275442 0.665518
C4 C 0.309913 0.20457 0.653053
C5 C 0.267267 0.156919 0.692573
C6 C 0.216186 0.181207 0.744617
C7 C 0.153245 0.279055 0.812517
C8 C 0.346988 0.32407 0.623209
C9 C 0.275489 0.0818418 0.679849
C10 C -0.0516822 0.244175 0.628312
C11 C -0.0698315 0.192612 0.566585
C12 C -0.0868781 0.20933 0.475953
C13 C -0.085484 0.278237 0.44808
C14 C -0.0672853 0.330826 0.509587
C15 C -0.050458 0.313491 0.599227
C16 C -0.0339916 0.225023 0.722798
C17 C -0.106087 0.155339 0.409859
C18 C -0.0654429 0.403904 0.481087
C19 C 0.220446 0.367909 0.22707
C20 C 0.256623 0.394436 0.300145
C21 C 0.228493 0.440118 0.362741
C22 C 0.163723 0.458709 0.351269
C23 C 0.126627 0.432334 0.277897
C24 C 0.155179 0.387126 0.216365
C25 C 0.251318 0.320096 0.162644
C26 C 0.266084 0.46854 0.440356
C27 C 0.0580616 0.451473 0.264987
C28 C 0.162225 0.0824093 0.222131
C29 C 0.101419 0.0608628 0.250471
C30 C 0.0947714 0.0222402 0.331075
C31 C 0.149733 0.00559384 0.382833
C32 C 0.211408 0.026999 0.355129
C33 C 0.217234 0.0652439 0.275079
C34 C 0.167609 0.122862 0.137358
C35 C 0.0308007 -0.000838037 0.362012
C36 C 0.26995 0.00987851 0.409224
C37 C 0.0631176 0.271494 0.905856
C38 C -0.00348886 0.244646 0.874632
C39 C 0.391462 0.432063 0.59022
C40 C 0.358212 0.48754 0.531096
C41 C 0.325745 -0.0187276 0.628783
C42 C 0.32934 -0.0407921 0.528429
C43 C -0.130662 0.043292 0.360996
C44 C -0.0812351 -0.0155182 0.353183
C45 C -0.079123 0.497061 0.381238
C46 C -0.0378721 0.509731 0.296727
C47 C 0.257457 0.249723 0.0336714
C48 C 0.221063 0.181133 0.0211884

#END

data_frm_0037
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C c'
_symmetry_Int_Tables_number      9
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 x,-y,1/2+z
4 1/2+x,1/2-y,1/2+z
_cell_length_a                   15.8049
_cell_length_b                   21.2421
_cell_length_c                   18.0084
_cell_angle_alpha                90
_cell_angle_beta                 106.574
_cell_angle_gamma                90
_cell_volume                     5794.76
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.274849 0.392627 0.289518
N2 N 0.0951137 0.613595 0.0473081
N3 N 0.341858 0.403257 -0.0492042
N4 N 0.147758 0.303852 0.331471
N5 N -0.00778789 0.0829532 0.0812958
N6 N -0.271154 0.293235 0.153378
N7 N -0.274808 0.392615 -0.289656
N8 N -0.0953144 0.613568 -0.0472702
N9 N -0.341937 0.403123 0.0490609
N10 N -0.147731 0.303676 -0.331498
N11 N 0.00782075 0.0827842 -0.0811795
N12 N 0.271155 0.293216 -0.153132
H1 H -0.174567 0.347187 0.2299
H2 H 0.0849509 0.161909 0.181318
H3 H -0.0204896 0.321219 0.27395
H4 H 0.366151 0.34947 0.0515298
H5 H 0.317502 0.375405 0.162436
H6 H 0.14764 0.534612 0.160635
H7 H 0.236809 0.494463 -0.0394454
H8 H 0.187803 0.468511 0.273335
H9 H 0.139572 0.582139 -0.0446277
H10 H -0.139343 0.581836 0.0447534
H11 H -0.366144 0.349291 -0.0516229
H12 H -0.147493 0.534457 -0.160565
H13 H -0.317375 0.375279 -0.162534
H14 H -0.193919 0.202039 0.102873
H15 H -0.138172 0.114328 0.0471359
H16 H 0.184849 0.228091 0.27416
H17 H -0.236842 0.494233 0.039405
H18 H -0.187449 0.468293 -0.273251
H19 H -0.0849663 0.161782 -0.181276
H20 H 0.193902 0.201924 -0.102802
H21 H 0.0204909 0.320967 -0.274007
H22 H -0.18484 0.227905 -0.274196
H23 H 0.13807 0.114276 -0.0469124
H24 H 0.174524 0.346912 -0.230084
H25 H 0.221273 0.415049 0.383083
H26 H 0.333236 0.38893 0.408315
H27 H 0.285634 0.281429 0.361916
H28 H 0.242721 0.307604 0.438208
H29 H 0.0544671 0.666448 -0.0583385
H30 H 0.0780748 0.709921 0.0300964
H31 H -0.0546705 0.666321 0.0584502
H32 H -0.0783442 0.709925 -0.0299577
H33 H 0.420984 0.320422 -0.0431928
H34 H 0.450088 0.387536 -0.0903037
H35 H 0.314515 0.376129 -0.199564
H36 H 0.385352 0.30901 -0.185495
H37 H -0.0993685 0.0298997 -0.00738849
H38 H -0.0159196 -0.0134329 0.0613819
H39 H 0.0995292 0.0300192 0.00766803
H40 H 0.0161692 -0.0135325 -0.0610274
H41 H -0.385449 0.309106 0.185548
H42 H -0.314691 0.376254 0.199479
H43 H -0.420769 0.320126 0.0431863
H44 H -0.450288 0.38729 0.0900057
H45 H -0.220997 0.414975 -0.383061
H46 H -0.33305 0.38892 -0.408421
H47 H -0.285659 0.281377 -0.361878
H48 H -0.242758 0.307478 -0.438247
C1 C 0.232815 0.453033 0.170461
C2 C 0.185783 0.505155 0.132448
C3 C 0.186685 0.520781 0.056503
C4 C 0.235097 0.483527 0.019215
C5 C 0.282836 0.430788 0.0568028
C6 C 0.281376 0.41589 0.132084
C7 C 0.230516 0.437821 0.25
C8 C 0.137317 0.575714 0.0155856
C9 C 0.3342 0.390916 0.0180504
C10 C 0.0419694 0.243523 0.233363
C11 C 0.0294595 0.19135 0.184062
C12 C -0.0555318 0.175702 0.136531
C13 C -0.127627 0.212967 0.139046
C14 C -0.116031 0.265738 0.188506
C15 C -0.0313757 0.280717 0.235269
C16 C 0.131846 0.258746 0.282406
C17 C -0.0697681 0.120717 0.0840064
C18 C -0.191576 0.305674 0.191688
C19 C -0.232742 0.452905 -0.170469
C20 C -0.185722 0.505033 -0.132413
C21 C -0.186668 0.520668 -0.056506
C22 C -0.235101 0.483365 -0.0192602
C23 C -0.282827 0.43064 -0.0569208
C24 C -0.281294 0.415744 -0.132173
C25 C -0.23039 0.437735 -0.25001
C26 C -0.137243 0.575568 -0.0155179
C27 C -0.334249 0.390737 -0.0181965
C28 C -0.0419739 0.24337 -0.233427
C29 C -0.0294891 0.191232 -0.184047
C30 C 0.0554557 0.175588 -0.136475
C31 C 0.127539 0.212829 -0.139001
C32 C 0.115979 0.265604 -0.188511
C33 C 0.0313812 0.28052 -0.235314
C34 C -0.131844 0.258568 -0.282541
C35 C 0.0696988 0.12066 -0.083879
C36 C 0.191551 0.305485 -0.191706
C37 C 0.267474 0.382278 0.367175
C38 C 0.238696 0.31421 0.376657
C39 C 0.0490087 0.66603 0.00148127
C40 C -0.0492921 0.666011 -0.00139054
C41 C 0.394183 0.360735 -0.0813569
C42 C 0.340045 0.335806 -0.161013
C43 C -0.0294515 0.0304227 0.0275326
C44 C 0.0295812 0.0303666 -0.0272731
C45 C -0.340155 0.335831 0.16103
C46 C -0.394246 0.360569 0.0812376
C47 C -0.267342 0.382211 -0.367226
C48 C -0.238658 0.314141 -0.37673

#END

data_frm_0038
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21'
_symmetry_Int_Tables_number      4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z
_cell_length_a                   13.2257
_cell_length_b                   19.5995
_cell_length_c                   11.2358
_cell_angle_alpha                90
_cell_angle_beta                 91.1717
_cell_angle_gamma                90
_cell_volume                     2911.9
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.162651 0.149059 0.960725
N2 N 0.618431 0.0294556 0.927855
N3 N 0.237615 -0.177968 0.956258
N4 N 0.0898217 0.229423 0.748008
N5 N -0.0714489 0.0490241 0.299217
N6 N 0.323878 0.241535 0.246873
N7 N 0.583124 -0.140375 0.229031
N8 N 0.735135 0.0233366 0.701347
N9 N 0.537262 0.188786 0.254402
N10 N 0.411508 -0.238292 0.264946
N11 N -0.0348249 -0.101604 0.27426
N12 N 0.148412 -0.25223 0.745167
H1 H 0.331085 0.275341 0.422686
H2 H -0.0344349 0.107721 0.501809
H3 H 0.209752 0.248872 0.571837
H4 H 0.124573 -0.103815 0.954227
H5 H 0.153238 0.0171037 0.956568
H6 H 0.453813 0.100732 0.933962
H7 H 0.410575 -0.117295 0.937833
H8 H 0.312987 0.177796 0.939587
H9 H 0.579001 -0.0734447 0.920396
H10 H 0.687433 0.119876 0.646424
H11 H 0.502258 0.103961 0.149486
H12 H 0.682161 -0.0637441 0.538325
H13 H 0.544938 -0.0118419 0.198919
H14 H 0.175358 0.156085 0.225374
H15 H 0.0433055 0.0751118 0.183164
H16 H -0.0164508 0.155878 0.69748
H17 H 0.61499 0.146291 0.454268
H18 H 0.640974 -0.154011 0.401347
H19 H 0.145435 -0.144696 0.228757
H20 H 0.0460372 -0.185047 0.585065
H21 H 0.339259 -0.254309 0.475586
H22 H 0.30941 -0.179771 0.164712
H23 H -0.0630673 -0.121308 0.452761
H24 H 0.289396 -0.275717 0.676298
H25 H 0.193558 0.256233 0.949919
H26 H 0.0972676 0.230263 1.04936
H27 H -0.0151746 0.197867 0.87999
H28 H 0.0205222 0.285733 0.879868
H29 H 0.739336 -0.0424597 0.910328
H30 H 0.763723 0.0307167 1.00119
H31 H 0.759435 0.105809 0.823942
H32 H 0.854819 0.0413487 0.819647
H33 H 0.0842641 -0.213189 0.959475
H34 H 0.175508 -0.260251 1.04519
H35 H 0.254384 -0.30295 0.861914
H36 H 0.124408 -0.326073 0.874019
H37 H -0.0764744 0.00245562 0.126521
H38 H -0.194675 0.025096 0.189616
H39 H -0.175421 -0.0654606 0.34186
H40 H -0.176761 -0.0966889 0.192446
H41 H 0.391539 0.318392 0.149372
H42 H 0.446284 0.308497 0.294941
H43 H 0.46238 0.207557 0.0865489
H44 H 0.556074 0.267842 0.133917
H45 H 0.613633 -0.243065 0.28468
H46 H 0.638247 -0.222356 0.133207
H47 H 0.455016 -0.211085 0.0884344
H48 H 0.491251 -0.293817 0.140548
C1 C 0.298265 0.0665497 0.94584
C2 C 0.402767 0.0572093 0.938012
C3 C 0.44454 -0.00902763 0.93518
C4 C 0.380357 -0.0656153 0.940081
C5 C 0.274776 -0.0570009 0.94792
C6 C 0.234446 0.00893916 0.950716
C7 C 0.256746 0.136585 0.948517
C8 C 0.554826 -0.0197098 0.926946
C9 C 0.205963 -0.116353 0.952963
C10 C 0.0841351 0.179604 0.550573
C11 C 0.0318088 0.135775 0.472822
C12 C 0.0638533 0.126767 0.354825
C13 C 0.148849 0.162171 0.315916
C14 C 0.202405 0.206579 0.393333
C15 C 0.169806 0.214973 0.510114
C16 C 0.0487783 0.187899 0.673738
C17 C 0.00936309 0.0805139 0.271612
C18 C 0.292532 0.244254 0.35358
C19 C 0.613431 -0.0457879 0.364081
C20 C 0.652282 -0.0260559 0.475596
C21 C 0.653531 0.0432696 0.509472
C22 C 0.61522 0.0924276 0.430378
C23 C 0.575769 0.0732724 0.3176
C24 C 0.57507 0.00437629 0.285252
C25 C 0.613126 -0.118856 0.331226
C26 C 0.694246 0.0648979 0.627065
C27 C 0.5349 0.12471 0.233129
C28 C 0.251319 -0.200458 0.342326
C29 C 0.160197 -0.166905 0.316303
C30 C 0.0851287 -0.160956 0.403134
C31 C 0.102605 -0.18896 0.516164
C32 C 0.194198 -0.222943 0.543756
C33 C 0.267878 -0.228432 0.456778
C34 C 0.328537 -0.205804 0.249431
C35 C -0.0115581 -0.125543 0.37702
C36 C 0.213813 -0.252716 0.662946
C37 C 0.13075 0.219979 0.962367
C38 C 0.0483129 0.2334 0.866485
C39 C 0.725042 0.0128317 0.919343
C40 C 0.772762 0.0504663 0.814121
C41 C 0.162912 -0.23211 0.961384
C42 C 0.176223 -0.283168 0.858751
C43 C -0.118677 0.00493599 0.210234
C44 C -0.131999 -0.0678535 0.258973
C45 C 0.413334 0.28076 0.217864
C46 C 0.494953 0.234502 0.164657
C47 C 0.586393 -0.213315 0.206854
C48 C 0.481672 -0.240228 0.167207

#END

data_frm_0039
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   12.8117
_cell_length_b                   14.3392
_cell_length_c                   18.3177
_cell_angle_alpha                88.8699
_cell_angle_beta                 115.838
_cell_angle_gamma                102.838
_cell_volume                     2941.59
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.936524 0.558674 0.340565
N2 N 1.39599 0.421672 0.607102
N3 N 0.864037 0.150155 0.492081
N4 N 0.927944 0.579359 0.174623
N5 N 0.732853 0.18268 -0.0573904
N6 N 1.27782 0.42766 0.0592849
N7 N 1.38796 -0.0444883 0.320811
N8 N 1.56081 0.339134 0.564768
N9 N 1.49077 0.375816 0.193667
N10 N 1.14235 -0.164135 0.281346
N11 N 0.705521 -0.0135856 0.00278675
N12 N 0.762375 -0.0238535 0.37223
H1 H 1.27366 0.533631 0.133544
H2 H 0.769806 0.331197 0.0364199
H3 H 1.10052 0.547196 0.148614
H4 H 0.773145 0.236412 0.405686
H5 H 0.863137 0.390807 0.379696
H6 H 1.24449 0.504383 0.498342
H7 H 1.09039 0.229326 0.553436
H8 H 1.12257 0.595501 0.399874
H9 H 1.30341 0.287474 0.618746
H10 H 1.56262 0.438141 0.480258
H11 H 1.42766 0.22962 0.155726
H12 H 1.48587 0.168267 0.490969
H13 H 1.41184 0.104146 0.241761
H14 H 1.07344 0.304352 0.000772406
H15 H 0.893052 0.180156 -0.0603161
H16 H 0.781429 0.462923 0.12064
H17 H 1.52517 0.398404 0.342955
H18 H 1.4184 0.00338431 0.436671
H19 H 0.894543 -0.0741419 0.0915308
H20 H 0.705739 -0.00248746 0.219934
H21 H 1.01936 -0.11267 0.347395
H22 H 1.07213 -0.132177 0.160228
H23 H 0.635386 0.0241453 0.0782928
H24 H 0.920527 -0.0703032 0.422496
H25 H 1.02456 0.691218 0.314398
H26 H 0.887836 0.688948 0.319235
H27 H 0.773464 0.581261 0.192046
H28 H 0.855857 0.693626 0.180138
H29 H 1.49996 0.331653 0.687716
H30 H 1.54783 0.457563 0.717553
H31 H 1.6079 0.488125 0.606163
H32 H 1.68465 0.410806 0.676914
H33 H 0.674394 0.0985851 0.425066
H34 H 0.740289 0.0752147 0.529669
H35 H 0.838001 -0.0398665 0.500393
H36 H 0.678985 -0.0717601 0.445629
H37 H 0.732807 0.06191 -0.124587
H38 H 0.600772 0.106489 -0.165251
H39 H 0.554101 0.0483502 -0.0522814
H40 H 0.561803 -0.0445884 -0.112
H41 H 1.40657 0.493013 0.0225077
H42 H 1.43967 0.535819 0.122914
H43 H 1.44296 0.335054 0.0691272
H44 H 1.56947 0.433 0.119626
H45 H 1.36378 -0.151913 0.398754
H46 H 1.42593 -0.178884 0.33363
H47 H 1.2329 -0.19088 0.21219
H48 H 1.22531 -0.274178 0.284543
C1 C 1.05148 0.457104 0.43385
C2 C 1.16558 0.448306 0.488523
C3 C 1.18106 0.366335 0.532328
C4 C 1.08097 0.293433 0.520536
C5 C 0.965307 0.301251 0.465558
C6 C 0.951324 0.382928 0.422604
C7 C 1.03814 0.543799 0.388791
C8 C 1.30107 0.356035 0.590315
C9 C 0.858676 0.224663 0.452364
C10 C 0.929603 0.445577 0.0966394
C11 C 0.862373 0.359698 0.0479744
C12 C 0.913144 0.307813 0.0128032
C13 C 1.03192 0.343033 0.0270418
C14 C 1.10086 0.42958 0.0759876
C15 C 1.04936 0.480236 0.110514
C16 C 0.873924 0.498256 0.132734
C17 C 0.843199 0.216807 -0.0387039
C18 C 1.22662 0.467632 0.0917359
C19 C 1.4456 0.124533 0.366963
C20 C 1.48063 0.191487 0.432722
C21 C 1.5099 0.290839 0.425043
C22 C 1.50337 0.322141 0.350694
C23 C 1.46816 0.255424 0.28383
C24 C 1.43947 0.157177 0.292364
C25 C 1.41543 0.0208713 0.376924
C26 C 1.54695 0.362472 0.493966
C27 C 1.46072 0.287509 0.204819
C28 C 0.968163 -0.0976381 0.21992
C29 C 0.886219 -0.0698289 0.148021
C30 C 0.790729 -0.0353371 0.147004
C31 C 0.778535 -0.0290187 0.218866
C32 C 0.860532 -0.0567846 0.291904
C33 C 0.954728 -0.0908281 0.291961
C34 C 1.06735 -0.133448 0.219027
C35 C 0.703461 -0.00550849 0.0714795
C36 C 0.84891 -0.0503498 0.36839
C37 C 0.934584 0.646644 0.299778
C38 C 0.864039 0.624577 0.206792
C39 C 1.50907 0.40359 0.665111
C40 C 1.59782 0.415773 0.627899
C41 C 0.753272 0.0798132 0.47401
C42 C 0.760293 -0.0204398 0.450823
C43 C 0.673041 0.0927338 -0.108517
C44 C 0.615145 0.0179955 -0.0673465
C45 C 1.40182 0.471492 0.0791665
C46 C 1.47983 0.398747 0.113422
C47 C 1.36011 -0.143952 0.337608
C48 C 1.23602 -0.197775 0.27326

#END

data_frm_0040
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   14.3007
_cell_length_b                   11.1326
_cell_length_c                   21.5579
_cell_angle_alpha                59.4463
_cell_angle_beta                 82.2343
_cell_angle_gamma                83.3361
_cell_volume                     2923.95
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.571018 0.705553 0.581655
N2 N 0.528577 0.341804 0.93205
N3 N 0.714948 0.943986 0.769249
N4 N 0.388324 0.801604 0.511595
N5 N 0.175179 1.35264 0.506848
N6 N -0.0238763 0.759898 0.686737
N7 N 0.106029 0.85766 1.01877
N8 N 0.346101 0.322376 1.02325
N9 N -0.0285489 0.576219 0.848174
N10 N 0.209094 1.12301 0.946024
N11 N 0.224351 1.47044 0.595862
N12 N 0.611779 1.20738 0.753805
H1 H 0.0870811 0.64061 0.667606
H2 H 0.288541 1.16483 0.495206
H3 H 0.229643 0.73132 0.591364
H4 H 0.696274 0.995515 0.66408
H5 H 0.63406 0.845853 0.631549
H6 H 0.525967 0.448473 0.793923
H7 H 0.642653 0.70556 0.857674
H8 H 0.516157 0.523904 0.668949
H9 H 0.580063 0.487938 0.950198
H10 H 0.266763 0.304886 0.95421
H11 H -0.0579841 0.743549 0.86686
H12 H 0.278268 0.537386 1.03431
H13 H 0.0276014 0.787661 0.941068
H14 H 0.0271972 1.01376 0.626943
H15 H 0.0581398 1.25464 0.577141
H16 H 0.405194 1.01103 0.475968
H17 H 0.125413 0.443763 0.906107
H18 H 0.229061 0.731068 1.053
H19 H 0.181718 1.33702 0.734421
H20 H 0.478999 1.32478 0.667135
H21 H 0.383291 1.12281 0.894112
H22 H 0.124344 1.22178 0.859961
H23 H 0.369402 1.44041 0.576028
H24 H 0.549065 1.10797 0.859657
H25 H 0.505515 0.572675 0.557113
H26 H 0.607223 0.657958 0.499742
H27 H 0.518054 0.887225 0.449113
H28 H 0.468994 0.763139 0.435305
H29 H 0.530518 0.288308 1.04247
H30 H 0.55715 0.150097 1.02254
H31 H 0.391434 0.161026 0.997599
H32 H 0.403717 0.12207 1.08747
H33 H 0.760365 1.14323 0.683705
H34 H 0.830718 1.05159 0.758618
H35 H 0.704151 1.08944 0.838201
H36 H 0.746224 1.24758 0.76234
H37 H 0.0723837 1.48057 0.532636
H38 H 0.127421 1.55865 0.442345
H39 H 0.279882 1.55768 0.484962
H40 H 0.185994 1.65629 0.505418
H41 H -0.144204 0.655383 0.703767
H42 H -0.042052 0.540475 0.735837
H43 H -0.147959 0.714302 0.800395
H44 H -0.158553 0.53283 0.833573
H45 H 0.191802 0.899446 1.07913
H46 H 0.066665 0.920351 1.0947
H47 H 0.0592723 1.12828 0.972551
H48 H 0.131747 1.14606 1.02841
C1 C 0.577591 0.645204 0.706035
C2 C 0.558812 0.54436 0.778745
C3 C 0.582068 0.564663 0.834232
C4 C 0.624133 0.687121 0.815933
C5 C 0.643454 0.789839 0.74283
C6 C 0.620078 0.768268 0.688417
C7 C 0.552316 0.62101 0.649118
C8 C 0.562663 0.459033 0.91131
C9 C 0.687751 0.919944 0.722665
C10 C 0.269111 0.944478 0.539683
C11 C 0.242446 1.07864 0.528224
C12 C 0.155073 1.10538 0.559402
C13 C 0.0949628 0.996121 0.602115
C14 C 0.120897 0.860227 0.614146
C15 C 0.207771 0.835228 0.582932
C16 C 0.361178 0.919721 0.506357
C17 C 0.125968 1.24669 0.547861
C18 C 0.0581941 0.743568 0.659295
C19 C 0.153533 0.672447 0.991239
C20 C 0.218968 0.561247 1.00224
C21 C 0.209683 0.477377 0.971893
C22 C 0.134209 0.506551 0.930342
C23 C 0.0676775 0.618407 0.918775
C24 C 0.0777841 0.700587 0.949225
C25 C 0.165247 0.758484 1.02373
C26 C 0.278308 0.359583 0.982972
C27 C -0.0124074 0.65056 0.874885
C28 C 0.274256 1.2255 0.821076
C29 C 0.254168 1.30344 0.748705
C30 C 0.327473 1.3403 0.692394
C31 C 0.420949 1.298 0.709529
C32 C 0.44231 1.21928 0.782291
C33 C 0.368906 1.18353 0.837519
C34 C 0.195857 1.18843 0.878875
C35 C 0.30735 1.4225 0.615616
C36 C 0.540791 1.17362 0.801238
C37 C 0.54294 0.67051 0.530705
C38 C 0.480095 0.789819 0.47633
C39 C 0.512506 0.246051 1.00925
C40 C 0.409044 0.204748 1.03025
C41 C 0.757747 1.0754 0.743022
C42 C 0.705336 1.15645 0.778901
C43 C 0.139565 1.48654 0.499445
C44 C 0.21305 1.54995 0.518873
C45 C -0.079357 0.637662 0.730218
C46 C -0.109448 0.61783 0.806037
C47 C 0.124891 0.934915 1.05297
C48 C 0.126681 1.09245 0.99803

#END
