
##################################################
#  This mmCIF file is created by CS Chem3D
##################################################

data_XXXX



##################################################
#  sequence section
#

loop_
_entity_poly_seq.num
_entity_poly_seq.mon_id


##################################################
#  atom section
#

loop_
_atom_site.label_seq_id
_atom_site.group_pdb
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.cartn_x
_atom_site.cartn_y
_atom_site.cartn_z
_atom_site.id
   0
HETA  NA  Na1   . .      0.000     7.297     3.648       1
   0
HETA  NA  Na1   . .     -3.648     3.649     3.648       2
   0
HETA  NA  Na1   . .      3.649     7.297     0.000       3
   0
HETA  NA  Na1   . .      1.824     5.473     1.824       4
   0
HETA  NA  Na1   . .     -3.648     0.000     0.000       5
   0
HETA  NA  Na1   . .      0.000     0.000     3.648       6
   0
HETA  NA  Na1   . .      0.000     3.649     7.297       7
   0
HETA  NA  Na1   . .      3.649     3.649     3.648       8
   0
HETA  NA  Na1   . .      1.824     1.824     5.473       9
   0
HETA  NA  Na1   . .     -1.824     1.824     1.824      10
   0
HETA  NA  Na1   . .      0.000     3.648     0.000      11
   0
HETA  NA  Na1   . .      1.824     5.473     1.824      12
   1
HETA  IN  In1   UNK .      0.000     3.649     3.648      13
   1
HETA  IN  In1   UNK .      3.649     0.000     3.648      14
   1
HETA  IN  In1   UNK .     -1.824    -1.824     1.824      15
   1
HETA  IN  In1   UNK .     -1.824     1.824    -1.824      16
   1
HETA  IN  In1   UNK .     -3.648     3.648     0.000      17
   1
HETA  IN  In1   UNK .     -5.473     1.824     1.824      18
   1
HETA  IN  In1   UNK .     -1.824     5.473     1.824      19
   1
HETA  IN  In1   UNK .     -1.824     1.824     5.473      20
   1
HETA  IN  In1   UNK .      1.824     5.473     5.473      21
   1
HETA  IN  In1   UNK .      3.649     3.649     7.297      22
   1
HETA  IN  In1   UNK .      0.000     7.297     7.297      23
   1
HETA  IN  In1   UNK .      3.649     7.297     3.648      24
   1
HETA  IN  In1   UNK .      1.824     1.824     9.121      25
   1
HETA  IN  In1   UNK .      5.473     1.824     5.473      26
   1
HETA  IN  In1   UNK .      7.297     0.000     7.297      27
   1
HETA  IN  In1   UNK .      7.297     3.649     3.648      28
   1
HETA  IN  In1   UNK .      1.824    -1.824     5.473      29
   1
HETA  IN  In1   UNK .      3.648    -3.648     7.297      30
   1
HETA  IN  In1   UNK .      0.000     0.000     7.297      31
   1
HETA  IN  In1   UNK .     -3.648     3.649     7.297      32
   1
HETA  IN  In1   UNK .      0.000     3.649    10.945      33
   1
HETA  IN  In1   UNK .      0.000    -3.648     3.648      34
   1
HETA  IN  In1   UNK .      3.649     0.000    10.945      35
   1
HETA  IN  In1   UNK .     -3.648     0.000     3.648      36
   1
HETA  IN  In1   UNK .      5.473    -1.824     9.121      37
   1
HETA  IN  In1   UNK .     -1.824     5.473     9.121      38
   1
HETA  IN  In1   UNK .      5.473     5.473     1.824      39
   1
HETA  IN  In1   UNK .     -3.648     3.648     0.000      40
   1
HETA  IN  In1   UNK .     -5.473     1.824     1.824      41
   1
HETA  IN  In1   UNK .     -3.648     0.000     3.648      42
   1
HETA  IN  In1   UNK .     -7.297     0.000     0.000      43
   1
HETA  IN  In1   UNK .     -7.297     3.649     3.648      44
   1
HETA  IN  In1   UNK .     -5.473     5.473     5.473      45
   1
HETA  IN  In1   UNK .     -3.648     3.649     7.297      46
   1
HETA  IN  In1   UNK .     -3.648     7.297     3.648      47
   1
HETA  IN  In1   UNK .     -5.473    -1.824    -1.824      48
   1
HETA  IN  In1   UNK .     -3.649    -3.648     0.000      49
   1
HETA  IN  In1   UNK .     -3.649    -0.000    -3.648      50
   1
HETA  IN  In1   UNK .     -1.824    -1.824     1.824      51
   1
HETA  IN  In1   UNK .      0.000     0.000     0.000      52
   1
HETA  IN  In1   UNK .      0.000    -3.648     3.648      53
   1
HETA  IN  In1   UNK .     -1.824     1.824     5.473      54
   1
HETA  IN  In1   UNK .      0.000     0.000     7.297      55
   1
HETA  IN  In1   UNK .      0.000     3.649     3.648      56
   1
HETA  IN  In1   UNK .      1.824     1.824     1.824      57
   1
HETA  IN  In1   UNK .      3.649     3.648     0.000      58
   1
HETA  IN  In1   UNK .      3.649     0.000     3.648      59
   1
HETA  IN  In1   UNK .      1.824     5.473     5.473      60
   1
HETA  IN  In1   UNK .     -1.824     5.473     1.824      61
   1
HETA  IN  In1   UNK .      0.000     7.297     0.000      62
   1
HETA  IN  In1   UNK .     -1.824     1.824    -1.824      63
   1
HETA  IN  In1   UNK .      0.000     3.648    -3.648      64
   1
HETA  IN  In1   UNK .      3.649     3.649     7.297      65
   1
HETA  IN  In1   UNK .      1.824     1.824     9.121      66
   1
HETA  IN  In1   UNK .      1.824    -1.824     5.473      67
   1
HETA  IN  In1   UNK .      5.473     1.824     5.473      68
   1
HETA  IN  In1   UNK .      1.824     5.473    -1.824      69
   1
HETA  IN  In1   UNK .     -1.824     5.473     1.824      70
   1
HETA  IN  In1   UNK .     -3.648     3.648     0.000      71
   1
HETA  IN  In1   UNK .     -5.473     1.824     1.824      72
   1
HETA  IN  In1   UNK .     -1.824     1.824    -1.824      73
   1
HETA  IN  In1   UNK .      0.000     3.649     3.648      74
   1
HETA  IN  In1   UNK .      1.824     1.824     1.824      75
   1
HETA  IN  In1   UNK .     -1.824     1.824     5.473      76
   1
HETA  IN  In1   UNK .      1.824     5.473     5.473      77
   1
HETA  IN  In1   UNK .      3.649     3.649     7.297      78
   1
HETA  IN  In1   UNK .      1.824     1.824     9.121      79
   1
HETA  IN  In1   UNK .      5.473     1.824     5.473      80
   1
HETA  IN  In1   UNK .     -3.648     0.000     3.648      81
   1
HETA  IN  In1   UNK .      0.000     0.000     7.297      82
   1
HETA  IN  In1   UNK .      1.824    -1.824     5.473      83
   1
HETA  IN  In1   UNK .     -1.824    -1.824     1.824      84
   1
HETA  IN  In1   UNK .      0.000    -3.648     3.648      85
   1
HETA  IN  In1   UNK .      3.649     0.000     3.648      86
   1
HETA  IN  In1   UNK .      0.000     0.000     0.000      87
   1
HETA  IN  In1   UNK .     -3.649    -3.648     0.000      88
   1
HETA  IN  In1   UNK .      3.648    -3.648     7.297      89
   1
HETA  IN  In1   UNK .      3.649     3.648     0.000      90
   1
HETA  IN  In1   UNK .     -5.473     1.824     1.824      91
   1
HETA  IN  In1   UNK .     -3.648     0.000     3.648      92
   1
HETA  IN  In1   UNK .     -1.824    -1.824     1.824      93
   1
HETA  IN  In1   UNK .     -1.824     1.824     5.473      94
   1
HETA  IN  In1   UNK .      0.000     3.649     3.648      95
   1
HETA  IN  In1   UNK .      1.824     1.824     1.824      96
   1
HETA  IN  In1   UNK .     -1.824     5.473     1.824      97
   1
HETA  IN  In1   UNK .      1.824     5.473     5.473      98
   1
HETA  IN  In1   UNK .      3.649     7.297     3.648      99
   1
HETA  IN  In1   UNK .      1.824     9.121     1.824     100
   1
HETA  IN  In1   UNK .      5.473     5.473     1.824     101
   1
HETA  IN  In1   UNK .      0.000     7.297     0.000     102
   1
HETA  IN  In1   UNK .     -3.648     3.648     0.000     103
   1
HETA  IN  In1   UNK .     -1.824     1.824    -1.824     104
   1
HETA  IN  In1   UNK .      1.824     5.473    -1.824     105
   1
HETA  IN  In1   UNK .      0.000     3.648    -3.648     106
   1
HETA  IN  In1   UNK .      0.000     0.000     0.000     107
   1
HETA  IN  In1   UNK .      3.649     3.648     0.000     108
   1
HETA  IN  In1   UNK .      3.648     7.297    -3.648     109
   1
HETA  IN  In1   UNK .     -3.649    -0.000    -3.648     110
   1
HETA  IN  In1   UNK .      3.649     0.000     3.648     111
   1
HETA  IN  In1   UNK .      1.824     5.473     5.473     112
   1
HETA  IN  In1   UNK .     -3.648     7.297     3.648     113
   1
HETA  IN  In1   UNK .     -1.824     9.121     5.473     114
   1
HETA  IN  In1   UNK .      0.000     7.297     7.297     115
   1
HETA  IN  In1   UNK .      0.000    10.945     3.648     116
   1
HETA  IN  In1   UNK .      1.824     9.121     1.824     117
   1
HETA  IN  In1   UNK .      3.649     7.297     3.648     118
   1
HETA  IN  In1   UNK .      0.000     7.297     0.000     119
   1
HETA  IN  In1   UNK .      3.649    10.945     0.000     120
   1
HETA  IN  In1   UNK .      5.473     9.121    -1.824     121
   1
HETA  IN  In1   UNK .      3.648     7.297    -3.648     122
   1
HETA  IN  In1   UNK .      7.297     7.297     0.000     123
   1
HETA  IN  In1   UNK .      1.824     5.473    -1.824     124
   1
HETA  IN  In1   UNK .      3.649     3.648     0.000     125
   1
HETA  IN  In1   UNK .      0.000     3.648    -3.648     126
   1
HETA  IN  In1   UNK .     -1.824     5.473     1.824     127
   1
HETA  IN  In1   UNK .     -3.648     3.648     0.000     128
   1
HETA  IN  In1   UNK .      0.000     3.649     3.648     129
   1
HETA  IN  In1   UNK .      1.824     1.824     1.824     130
   1
HETA  IN  In1   UNK .      3.649     0.000     3.648     131
   1
HETA  IN  In1   UNK .      0.000     0.000     0.000     132
   1
HETA  IN  In1   UNK .     -1.824     1.824     5.473     133
   1
HETA  IN  In1   UNK .      3.649     3.649     7.297     134
   1
HETA  IN  In1   UNK .      5.473     5.473     1.824     135
   1
HETA  IN  In1   UNK .      7.297     3.649     3.648     136
   1
HETA  IN  In1   UNK .     -3.648     0.000     3.648     137
   1
HETA  IN  In1   UNK .     -5.473     1.824     1.824     138
   1
HETA  IN  In1   UNK .     -1.824     1.824    -1.824     139
   1
HETA  IN  In1   UNK .     -1.824    -1.824     1.824     140
   1
HETA  IN  In1   UNK .      5.473     1.824     5.473     141
   1
HETA  IN  In1   UNK .      3.649     7.297     3.648     142
   1
HETA  IN  In1   UNK .      1.824     9.121     1.824     143
   1
HETA  IN  In1   UNK .      1.824     5.473     5.473     144
   1
HETA  IN  In1   UNK .      5.473     5.473     1.824     145
   1
HETA  IN  In1   UNK .      3.649     3.648     0.000     146
   1
HETA  IN  In1   UNK .      1.824     1.824     1.824     147
   1
HETA  IN  In1   UNK .      1.824     5.473    -1.824     148
   1
HETA  IN  In1   UNK .      3.649     0.000     3.648     149
   1
HETA  IN  In1   UNK .      0.000     3.649     3.648     150
   1
HETA  IN  In1   UNK .     -1.824     5.473     1.824     151
   1
HETA  IN  In1   UNK .      0.000     0.000     0.000     152
   1
HETA  IN  In1   UNK .     -1.824     1.824     5.473     153
   1
HETA  IN  In1   UNK .     -3.648     0.000     3.648     154
   1
HETA  IN  In1   UNK .     -3.648     3.649     7.297     155
   1
HETA  IN  In1   UNK .      0.000     0.000     7.297     156
   1
HETA  IN  In1   UNK .     -5.473     1.824     1.824     157
   1
HETA  IN  In1   UNK .     -1.824    -1.824     1.824     158
   1
HETA  IN  In1   UNK .     -3.649    -3.648     0.000     159
   1
HETA  IN  In1   UNK .      0.000    -3.648     3.648     160
   1
HETA  IN  In1   UNK .     -1.824     1.824    -1.824     161
   1
HETA  IN  In1   UNK .     -3.648     3.648     0.000     162
   1
HETA  IN  In1   UNK .     -3.648     7.297     3.648     163
   1
HETA  IN  In1   UNK .      0.000     3.648    -3.648     164
   1
HETA  IN  In1   UNK .     -7.297     0.000     0.000     165
   1
HETA  IN  In1   UNK .      0.000     7.297     0.000     166
   1
HETA  IN  In1   UNK .     -5.473    -1.824    -1.824     167
   1
HETA  IN  In1   UNK .     -5.473     5.473     5.473     168
   1
HETA  IN  In1   UNK .     -7.297     3.649     3.648     169
   1
HETA  IN  In1   UNK .      1.824    -1.824     5.473     170
   1
HETA  IN  In1   UNK .     -3.649    -0.000    -3.648     171
   1
HETA  IN  In1   UNK .      1.824     1.824     1.824     172
   1
HETA  IN  In1   UNK .      3.649     3.648     0.000     173
   1
HETA  IN  In1   UNK .      0.000     0.000     0.000     174
   1
HETA  NA  Na1   UNK .      1.824     1.824     5.473     175
   1
HETA  NA  Na1   UNK .     -3.648     0.000     0.000     176
   1
HETA  NA  Na1   UNK .      1.824     1.824     5.473     177
   1
HETA  NA  Na1   UNK .     -3.648     0.000     0.000     178
   1
HETA  NA  Na1   UNK .     -3.648     0.000     0.000     179
   1
HETA  NA  Na1   UNK .     -3.648     0.000     0.000     180
   1
HETA  NA  Na1   UNK .     -1.824     1.824     1.824     181
   1
HETA  NA  Na1   UNK .     -1.824     1.824     1.824     182
   1
HETA  NA  Na1   UNK .     -1.824     1.824     1.824     183
   1
HETA  NA  Na1   UNK .      3.649     0.000     7.297     184
   1
HETA  NA  Na1   UNK .     -1.824     1.824     1.824     185
   1
HETA  NA  Na1   UNK .      0.000     3.648     0.000     186
   1
HETA  NA  Na1   UNK .     -3.648     3.649     3.648     187
   1
HETA  NA  Na1   UNK .     -3.648     3.649     3.648     188
   1
HETA  NA  Na1   UNK .     -3.648     3.649     3.648     189
   1
HETA  NA  Na1   UNK .     -3.648     3.649     3.648     190
   1
HETA  NA  Na1   UNK .     -3.648     3.649     3.648     191
   1
HETA  NA  Na1   UNK .      0.000     3.648     0.000     192
   1
HETA  NA  Na1   UNK .      0.000     3.648     0.000     193
   1
HETA  NA  Na1   UNK .      0.000     3.648     0.000     194
   1
HETA  NA  Na1   UNK .      1.824     1.824     5.473     195
   1
HETA  NA  Na1   UNK .      0.000     3.649     7.297     196
   1
HETA  NA  Na1   UNK .      0.000     3.649     7.297     197
   1
HETA  NA  Na1   UNK .      3.649     3.649     3.648     198
   1
HETA  NA  Na1   UNK .      3.649     3.649     3.648     199
   1
HETA  NA  Na1   UNK .      3.649     3.649     3.648     200
   1
HETA  NA  Na1   UNK .      3.649     3.649     3.648     201
   1
HETA  NA  Na1   UNK .      3.649     3.649     3.648     202
   1
HETA  NA  Na1   UNK .      1.824     5.473     1.824     203
   1
HETA  NA  Na1   UNK .      1.824     5.473     1.824     204
   1
HETA  NA  Na1   UNK .      1.824     5.473     1.824     205
   1
HETA  NA  Na1   UNK .      3.649     0.000     7.297     206
   1
HETA  NA  Na1   UNK .      0.000     7.297     3.648     207
   1
HETA  NA  Na1   UNK .      0.000     7.297     3.648     208
   1
HETA  NA  Na1   UNK .      3.649     7.297     0.000     209
   1
HETA  NA  Na1   UNK .      3.649     7.297     0.000     210
   1
HETA  NA  Na1   UNK .      0.000     0.000     3.648     211
   1
HETA  NA  Na1   UNK .      3.649     0.000     7.297     212
   1
HETA  NA  Na1   UNK .      1.824     1.824     5.473     213
   1
HETA  NA  Na1   UNK .      1.824     1.824     5.473     214
   1
HETA  NA  Na1   UNK .      0.000     0.000     3.648     215
   1
HETA  NA  Na1   UNK .     -1.824     1.824     1.824     216
   1
HETA  NA  Na1   UNK .      0.000     0.000     3.648     217
   1
HETA  NA  Na1   UNK .     -3.648     0.000     0.000     218
   1
HETA  NA  Na1   UNK .      0.000     0.000     3.648     219
   1
HETA  NA  Na1   UNK .      1.824     5.473     1.824     220
   1
HETA  NA  Na1   UNK .      0.000     0.000     3.648     221
   1
HETA  NA  Na1   UNK .      0.000     3.648     0.000     222


# file end
