Index: sansview/test/diamond.pdb
===================================================================
--- sansview/test/diamond.pdb	(revision d7b69130a29f8f8b3d8bf726d21ab5fb39feaad6)
+++ sansview/test/diamond.pdb	(revision d7b69130a29f8f8b3d8bf726d21ab5fb39feaad6)
@@ -0,0 +1,623 @@
+HEADER      WRS  Dia    A= 4.242640687
+COMPND    ZnS
+ATOM      1  C   ???     1       0.000   0.000   0.000
+ATOM      2  C   ???     1       4.243   0.000   0.000
+ATOM      3  C   ???     1       8.485   0.000   0.000
+ATOM      4  C   ???     1      12.728   0.000   0.000
+ATOM      5  C   ???     1      16.971   0.000   0.000
+ATOM      6  C   ???     1       0.000   4.243   0.000
+ATOM      7  C   ???     1       4.243   4.243   0.000
+ATOM      8  C   ???     1       8.485   4.243   0.000
+ATOM      9  C   ???     1      12.728   4.243   0.000
+ATOM     10  C   ???     1      16.971   4.243   0.000
+ATOM     11  C   ???     1       0.000   8.485   0.000
+ATOM     12  C   ???     1       4.243   8.485   0.000
+ATOM     13  C   ???     1       8.485   8.485   0.000
+ATOM     14  C   ???     1      12.728   8.485   0.000
+ATOM     15  C   ???     1      16.971   8.485   0.000
+ATOM     16  C   ???     1       0.000  12.728   0.000
+ATOM     17  C   ???     1       4.243  12.728   0.000
+ATOM     18  C   ???     1       8.485  12.728   0.000
+ATOM     19  C   ???     1      12.728  12.728   0.000
+ATOM     20  C   ???     1      16.971  12.728   0.000
+ATOM     21  C   ???     1       0.000  16.971   0.000
+ATOM     22  C   ???     1       4.243  16.971   0.000
+ATOM     23  C   ???     1       8.485  16.971   0.000
+ATOM     24  C   ???     1      12.728  16.971   0.000
+ATOM     25  C   ???     1      16.971  16.971   0.000
+ATOM     26  C   ???     1       0.000   0.000   4.243
+ATOM     27  C   ???     1       4.243   0.000   4.243
+ATOM     28  C   ???     1       8.485   0.000   4.243
+ATOM     29  C   ???     1      12.728   0.000   4.243
+ATOM     30  C   ???     1      16.971   0.000   4.243
+ATOM     31  C   ???     1       0.000   4.243   4.243
+ATOM     32  C   ???     1       4.243   4.243   4.243
+ATOM     33  C   ???     1       8.485   4.243   4.243
+ATOM     34  C   ???     1      12.728   4.243   4.243
+ATOM     35  C   ???     1      16.971   4.243   4.243
+ATOM     36  C   ???     1       0.000   8.485   4.243
+ATOM     37  C   ???     1       4.243   8.485   4.243
+ATOM     38  C   ???     1       8.485   8.485   4.243
+ATOM     39  C   ???     1      12.728   8.485   4.243
+ATOM     40  C   ???     1      16.971   8.485   4.243
+ATOM     41  C   ???     1       0.000  12.728   4.243
+ATOM     42  C   ???     1       4.243  12.728   4.243
+ATOM     43  C   ???     1       8.485  12.728   4.243
+ATOM     44  C   ???     1      12.728  12.728   4.243
+ATOM     45  C   ???     1      16.971  12.728   4.243
+ATOM     46  C   ???     1       0.000  16.971   4.243
+ATOM     47  C   ???     1       4.243  16.971   4.243
+ATOM     48  C   ???     1       8.485  16.971   4.243
+ATOM     49  C   ???     1      12.728  16.971   4.243
+ATOM     50  C   ???     1      16.971  16.971   4.243
+ATOM     51  C   ???     1       0.000   0.000   8.485
+ATOM     52  C   ???     1       4.243   0.000   8.485
+ATOM     53  C   ???     1       8.485   0.000   8.485
+ATOM     54  C   ???     1      12.728   0.000   8.485
+ATOM     55  C   ???     1      16.971   0.000   8.485
+ATOM     56  C   ???     1       0.000   4.243   8.485
+ATOM     57  C   ???     1       4.243   4.243   8.485
+ATOM     58  C   ???     1       8.485   4.243   8.485
+ATOM     59  C   ???     1      12.728   4.243   8.485
+ATOM     60  C   ???     1      16.971   4.243   8.485
+ATOM     61  C   ???     1       0.000   8.485   8.485
+ATOM     62  C   ???     1       4.243   8.485   8.485
+ATOM     63  C   ???     1       8.485   8.485   8.485
+ATOM     64  C   ???     1      12.728   8.485   8.485
+ATOM     65  C   ???     1      16.971   8.485   8.485
+ATOM     66  C   ???     1       0.000  12.728   8.485
+ATOM     67  C   ???     1       4.243  12.728   8.485
+ATOM     68  C   ???     1       8.485  12.728   8.485
+ATOM     69  C   ???     1      12.728  12.728   8.485
+ATOM     70  C   ???     1      16.971  12.728   8.485
+ATOM     71  C   ???     1       0.000  16.971   8.485
+ATOM     72  C   ???     1       4.243  16.971   8.485
+ATOM     73  C   ???     1       8.485  16.971   8.485
+ATOM     74  C   ???     1      12.728  16.971   8.485
+ATOM     75  C   ???     1      16.971  16.971   8.485
+ATOM     76  C   ???     1       0.000   0.000  12.728
+ATOM     77  C   ???     1       4.243   0.000  12.728
+ATOM     78  C   ???     1       8.485   0.000  12.728
+ATOM     79  C   ???     1      12.728   0.000  12.728
+ATOM     80  C   ???     1      16.971   0.000  12.728
+ATOM     81  C   ???     1       0.000   4.243  12.728
+ATOM     82  C   ???     1       4.243   4.243  12.728
+ATOM     83  C   ???     1       8.485   4.243  12.728
+ATOM     84  C   ???     1      12.728   4.243  12.728
+ATOM     85  C   ???     1      16.971   4.243  12.728
+ATOM     86  C   ???     1       0.000   8.485  12.728
+ATOM     87  C   ???     1       4.243   8.485  12.728
+ATOM     88  C   ???     1       8.485   8.485  12.728
+ATOM     89  C   ???     1      12.728   8.485  12.728
+ATOM     90  C   ???     1      16.971   8.485  12.728
+ATOM     91  C   ???     1       0.000  12.728  12.728
+ATOM     92  C   ???     1       4.243  12.728  12.728
+ATOM     93  C   ???     1       8.485  12.728  12.728
+ATOM     94  C   ???     1      12.728  12.728  12.728
+ATOM     95  C   ???     1      16.971  12.728  12.728
+ATOM     96  C   ???     1       0.000  16.971  12.728
+ATOM     97  C   ???     1       4.243  16.971  12.728
+ATOM     98  C   ???     1       8.485  16.971  12.728
+ATOM     99  C   ???     1      12.728  16.971  12.728
+ATOM    100  C   ???     1      16.971  16.971  12.728
+ATOM    101  C   ???     1       0.000   0.000  16.971
+ATOM    102  C   ???     1       4.243   0.000  16.971
+ATOM    103  C   ???     1       8.485   0.000  16.971
+ATOM    104  C   ???     1      12.728   0.000  16.971
+ATOM    105  C   ???     1      16.971   0.000  16.971
+ATOM    106  C   ???     1       0.000   4.243  16.971
+ATOM    107  C   ???     1       4.243   4.243  16.971
+ATOM    108  C   ???     1       8.485   4.243  16.971
+ATOM    109  C   ???     1      12.728   4.243  16.971
+ATOM    110  C   ???     1      16.971   4.243  16.971
+ATOM    111  C   ???     1       0.000   8.485  16.971
+ATOM    112  C   ???     1       4.243   8.485  16.971
+ATOM    113  C   ???     1       8.485   8.485  16.971
+ATOM    114  C   ???     1      12.728   8.485  16.971
+ATOM    115  C   ???     1      16.971   8.485  16.971
+ATOM    116  C   ???     1       0.000  12.728  16.971
+ATOM    117  C   ???     1       4.243  12.728  16.971
+ATOM    118  C   ???     1       8.485  12.728  16.971
+ATOM    119  C   ???     1      12.728  12.728  16.971
+ATOM    120  C   ???     1      16.971  12.728  16.971
+ATOM    121  C   ???     1       0.000  16.971  16.971
+ATOM    122  C   ???     1       4.243  16.971  16.971
+ATOM    123  C   ???     1       8.485  16.971  16.971
+ATOM    124  C   ???     1      12.728  16.971  16.971
+ATOM    125  C   ???     1      16.971  16.971  16.971
+ATOM    126  C   ???     1       2.121   2.121   0.000
+ATOM    127  C   ???     1       6.364   2.121   0.000
+ATOM    128  C   ???     1      10.607   2.121   0.000
+ATOM    129  C   ???     1      14.849   2.121   0.000
+ATOM    130  C   ???     1       2.121   6.364   0.000
+ATOM    131  C   ???     1       6.364   6.364   0.000
+ATOM    132  C   ???     1      10.607   6.364   0.000
+ATOM    133  C   ???     1      14.849   6.364   0.000
+ATOM    134  C   ???     1       2.121  10.607   0.000
+ATOM    135  C   ???     1       6.364  10.607   0.000
+ATOM    136  C   ???     1      10.607  10.607   0.000
+ATOM    137  C   ???     1      14.849  10.607   0.000
+ATOM    138  C   ???     1       2.121  14.849   0.000
+ATOM    139  C   ???     1       6.364  14.849   0.000
+ATOM    140  C   ???     1      10.607  14.849   0.000
+ATOM    141  C   ???     1      14.849  14.849   0.000
+ATOM    142  C   ???     1       2.121   2.121   4.243
+ATOM    143  C   ???     1       6.364   2.121   4.243
+ATOM    144  C   ???     1      10.607   2.121   4.243
+ATOM    145  C   ???     1      14.849   2.121   4.243
+ATOM    146  C   ???     1       2.121   6.364   4.243
+ATOM    147  C   ???     1       6.364   6.364   4.243
+ATOM    148  C   ???     1      10.607   6.364   4.243
+ATOM    149  C   ???     1      14.849   6.364   4.243
+ATOM    150  C   ???     1       2.121  10.607   4.243
+ATOM    151  C   ???     1       6.364  10.607   4.243
+ATOM    152  C   ???     1      10.607  10.607   4.243
+ATOM    153  C   ???     1      14.849  10.607   4.243
+ATOM    154  C   ???     1       2.121  14.849   4.243
+ATOM    155  C   ???     1       6.364  14.849   4.243
+ATOM    156  C   ???     1      10.607  14.849   4.243
+ATOM    157  C   ???     1      14.849  14.849   4.243
+ATOM    158  C   ???     1       2.121   2.121   8.485
+ATOM    159  C   ???     1       6.364   2.121   8.485
+ATOM    160  C   ???     1      10.607   2.121   8.485
+ATOM    161  C   ???     1      14.849   2.121   8.485
+ATOM    162  C   ???     1       2.121   6.364   8.485
+ATOM    163  C   ???     1       6.364   6.364   8.485
+ATOM    164  C   ???     1      10.607   6.364   8.485
+ATOM    165  C   ???     1      14.849   6.364   8.485
+ATOM    166  C   ???     1       2.121  10.607   8.485
+ATOM    167  C   ???     1       6.364  10.607   8.485
+ATOM    168  C   ???     1      10.607  10.607   8.485
+ATOM    169  C   ???     1      14.849  10.607   8.485
+ATOM    170  C   ???     1       2.121  14.849   8.485
+ATOM    171  C   ???     1       6.364  14.849   8.485
+ATOM    172  C   ???     1      10.607  14.849   8.485
+ATOM    173  C   ???     1      14.849  14.849   8.485
+ATOM    174  C   ???     1       2.121   2.121  12.728
+ATOM    175  C   ???     1       6.364   2.121  12.728
+ATOM    176  C   ???     1      10.607   2.121  12.728
+ATOM    177  C   ???     1      14.849   2.121  12.728
+ATOM    178  C   ???     1       2.121   6.364  12.728
+ATOM    179  C   ???     1       6.364   6.364  12.728
+ATOM    180  C   ???     1      10.607   6.364  12.728
+ATOM    181  C   ???     1      14.849   6.364  12.728
+ATOM    182  C   ???     1       2.121  10.607  12.728
+ATOM    183  C   ???     1       6.364  10.607  12.728
+ATOM    184  C   ???     1      10.607  10.607  12.728
+ATOM    185  C   ???     1      14.849  10.607  12.728
+ATOM    186  C   ???     1       2.121  14.849  12.728
+ATOM    187  C   ???     1       6.364  14.849  12.728
+ATOM    188  C   ???     1      10.607  14.849  12.728
+ATOM    189  C   ???     1      14.849  14.849  12.728
+ATOM    190  C   ???     1       2.121   2.121  16.971
+ATOM    191  C   ???     1       6.364   2.121  16.971
+ATOM    192  C   ???     1      10.607   2.121  16.971
+ATOM    193  C   ???     1      14.849   2.121  16.971
+ATOM    194  C   ???     1       2.121   6.364  16.971
+ATOM    195  C   ???     1       6.364   6.364  16.971
+ATOM    196  C   ???     1      10.607   6.364  16.971
+ATOM    197  C   ???     1      14.849   6.364  16.971
+ATOM    198  C   ???     1       2.121  10.607  16.971
+ATOM    199  C   ???     1       6.364  10.607  16.971
+ATOM    200  C   ???     1      10.607  10.607  16.971
+ATOM    201  C   ???     1      14.849  10.607  16.971
+ATOM    202  C   ???     1       2.121  14.849  16.971
+ATOM    203  C   ???     1       6.364  14.849  16.971
+ATOM    204  C   ???     1      10.607  14.849  16.971
+ATOM    205  C   ???     1      14.849  14.849  16.971
+ATOM    206  C   ???     1       2.121   0.000   2.121
+ATOM    207  C   ???     1       6.364   0.000   2.121
+ATOM    208  C   ???     1      10.607   0.000   2.121
+ATOM    209  C   ???     1      14.849   0.000   2.121
+ATOM    210  C   ???     1       2.121   0.000   6.364
+ATOM    211  C   ???     1       6.364   0.000   6.364
+ATOM    212  C   ???     1      10.607   0.000   6.364
+ATOM    213  C   ???     1      14.849   0.000   6.364
+ATOM    214  C   ???     1       2.121   0.000  10.607
+ATOM    215  C   ???     1       6.364   0.000  10.607
+ATOM    216  C   ???     1      10.607   0.000  10.607
+ATOM    217  C   ???     1      14.849   0.000  10.607
+ATOM    218  C   ???     1       2.121   0.000  14.849
+ATOM    219  C   ???     1       6.364   0.000  14.849
+ATOM    220  C   ???     1      10.607   0.000  14.849
+ATOM    221  C   ???     1      14.849   0.000  14.849
+ATOM    222  C   ???     1       2.121   4.243   2.121
+ATOM    223  C   ???     1       6.364   4.243   2.121
+ATOM    224  C   ???     1      10.607   4.243   2.121
+ATOM    225  C   ???     1      14.849   4.243   2.121
+ATOM    226  C   ???     1       2.121   4.243   6.364
+ATOM    227  C   ???     1       6.364   4.243   6.364
+ATOM    228  C   ???     1      10.607   4.243   6.364
+ATOM    229  C   ???     1      14.849   4.243   6.364
+ATOM    230  C   ???     1       2.121   4.243  10.607
+ATOM    231  C   ???     1       6.364   4.243  10.607
+ATOM    232  C   ???     1      10.607   4.243  10.607
+ATOM    233  C   ???     1      14.849   4.243  10.607
+ATOM    234  C   ???     1       2.121   4.243  14.849
+ATOM    235  C   ???     1       6.364   4.243  14.849
+ATOM    236  C   ???     1      10.607   4.243  14.849
+ATOM    237  C   ???     1      14.849   4.243  14.849
+ATOM    238  C   ???     1       2.121   8.485   2.121
+ATOM    239  C   ???     1       6.364   8.485   2.121
+ATOM    240  C   ???     1      10.607   8.485   2.121
+ATOM    241  C   ???     1      14.849   8.485   2.121
+ATOM    242  C   ???     1       2.121   8.485   6.364
+ATOM    243  C   ???     1       6.364   8.485   6.364
+ATOM    244  C   ???     1      10.607   8.485   6.364
+ATOM    245  C   ???     1      14.849   8.485   6.364
+ATOM    246  C   ???     1       2.121   8.485  10.607
+ATOM    247  C   ???     1       6.364   8.485  10.607
+ATOM    248  C   ???     1      10.607   8.485  10.607
+ATOM    249  C   ???     1      14.849   8.485  10.607
+ATOM    250  C   ???     1       2.121   8.485  14.849
+ATOM    251  C   ???     1       6.364   8.485  14.849
+ATOM    252  C   ???     1      10.607   8.485  14.849
+ATOM    253  C   ???     1      14.849   8.485  14.849
+ATOM    254  C   ???     1       2.121  12.728   2.121
+ATOM    255  C   ???     1       6.364  12.728   2.121
+ATOM    256  C   ???     1      10.607  12.728   2.121
+ATOM    257  C   ???     1      14.849  12.728   2.121
+ATOM    258  C   ???     1       2.121  12.728   6.364
+ATOM    259  C   ???     1       6.364  12.728   6.364
+ATOM    260  C   ???     1      10.607  12.728   6.364
+ATOM    261  C   ???     1      14.849  12.728   6.364
+ATOM    262  C   ???     1       2.121  12.728  10.607
+ATOM    263  C   ???     1       6.364  12.728  10.607
+ATOM    264  C   ???     1      10.607  12.728  10.607
+ATOM    265  C   ???     1      14.849  12.728  10.607
+ATOM    266  C   ???     1       2.121  12.728  14.849
+ATOM    267  C   ???     1       6.364  12.728  14.849
+ATOM    268  C   ???     1      10.607  12.728  14.849
+ATOM    269  C   ???     1      14.849  12.728  14.849
+ATOM    270  C   ???     1       2.121  16.971   2.121
+ATOM    271  C   ???     1       6.364  16.971   2.121
+ATOM    272  C   ???     1      10.607  16.971   2.121
+ATOM    273  C   ???     1      14.849  16.971   2.121
+ATOM    274  C   ???     1       2.121  16.971   6.364
+ATOM    275  C   ???     1       6.364  16.971   6.364
+ATOM    276  C   ???     1      10.607  16.971   6.364
+ATOM    277  C   ???     1      14.849  16.971   6.364
+ATOM    278  C   ???     1       2.121  16.971  10.607
+ATOM    279  C   ???     1       6.364  16.971  10.607
+ATOM    280  C   ???     1      10.607  16.971  10.607
+ATOM    281  C   ???     1      14.849  16.971  10.607
+ATOM    282  C   ???     1       2.121  16.971  14.849
+ATOM    283  C   ???     1       6.364  16.971  14.849
+ATOM    284  C   ???     1      10.607  16.971  14.849
+ATOM    285  C   ???     1      14.849  16.971  14.849
+ATOM    286  C   ???     1       0.000   2.121   2.121
+ATOM    287  C   ???     1       0.000   6.364   2.121
+ATOM    288  C   ???     1       0.000  10.607   2.121
+ATOM    289  C   ???     1       0.000  14.849   2.121
+ATOM    290  C   ???     1       0.000   2.121   6.364
+ATOM    291  C   ???     1       0.000   6.364   6.364
+ATOM    292  C   ???     1       0.000  10.607   6.364
+ATOM    293  C   ???     1       0.000  14.849   6.364
+ATOM    294  C   ???     1       0.000   2.121  10.607
+ATOM    295  C   ???     1       0.000   6.364  10.607
+ATOM    296  C   ???     1       0.000  10.607  10.607
+ATOM    297  C   ???     1       0.000  14.849  10.607
+ATOM    298  C   ???     1       0.000   2.121  14.849
+ATOM    299  C   ???     1       0.000   6.364  14.849
+ATOM    300  C   ???     1       0.000  10.607  14.849
+ATOM    301  C   ???     1       0.000  14.849  14.849
+ATOM    302  C   ???     1       4.243   2.121   2.121
+ATOM    303  C   ???     1       4.243   6.364   2.121
+ATOM    304  C   ???     1       4.243  10.607   2.121
+ATOM    305  C   ???     1       4.243  14.849   2.121
+ATOM    306  C   ???     1       4.243   2.121   6.364
+ATOM    307  C   ???     1       4.243   6.364   6.364
+ATOM    308  C   ???     1       4.243  10.607   6.364
+ATOM    309  C   ???     1       4.243  14.849   6.364
+ATOM    310  C   ???     1       4.243   2.121  10.607
+ATOM    311  C   ???     1       4.243   6.364  10.607
+ATOM    312  C   ???     1       4.243  10.607  10.607
+ATOM    313  C   ???     1       4.243  14.849  10.607
+ATOM    314  C   ???     1       4.243   2.121  14.849
+ATOM    315  C   ???     1       4.243   6.364  14.849
+ATOM    316  C   ???     1       4.243  10.607  14.849
+ATOM    317  C   ???     1       4.243  14.849  14.849
+ATOM    318  C   ???     1       8.485   2.121   2.121
+ATOM    319  C   ???     1       8.485   6.364   2.121
+ATOM    320  C   ???     1       8.485  10.607   2.121
+ATOM    321  C   ???     1       8.485  14.849   2.121
+ATOM    322  C   ???     1       8.485   2.121   6.364
+ATOM    323  C   ???     1       8.485   6.364   6.364
+ATOM    324  C   ???     1       8.485  10.607   6.364
+ATOM    325  C   ???     1       8.485  14.849   6.364
+ATOM    326  C   ???     1       8.485   2.121  10.607
+ATOM    327  C   ???     1       8.485   6.364  10.607
+ATOM    328  C   ???     1       8.485  10.607  10.607
+ATOM    329  C   ???     1       8.485  14.849  10.607
+ATOM    330  C   ???     1       8.485   2.121  14.849
+ATOM    331  C   ???     1       8.485   6.364  14.849
+ATOM    332  C   ???     1       8.485  10.607  14.849
+ATOM    333  C   ???     1       8.485  14.849  14.849
+ATOM    334  C   ???     1      12.728   2.121   2.121
+ATOM    335  C   ???     1      12.728   6.364   2.121
+ATOM    336  C   ???     1      12.728  10.607   2.121
+ATOM    337  C   ???     1      12.728  14.849   2.121
+ATOM    338  C   ???     1      12.728   2.121   6.364
+ATOM    339  C   ???     1      12.728   6.364   6.364
+ATOM    340  C   ???     1      12.728  10.607   6.364
+ATOM    341  C   ???     1      12.728  14.849   6.364
+ATOM    342  C   ???     1      12.728   2.121  10.607
+ATOM    343  C   ???     1      12.728   6.364  10.607
+ATOM    344  C   ???     1      12.728  10.607  10.607
+ATOM    345  C   ???     1      12.728  14.849  10.607
+ATOM    346  C   ???     1      12.728   2.121  14.849
+ATOM    347  C   ???     1      12.728   6.364  14.849
+ATOM    348  C   ???     1      12.728  10.607  14.849
+ATOM    349  C   ???     1      12.728  14.849  14.849
+ATOM    350  C   ???     1      16.971   2.121   2.121
+ATOM    351  C   ???     1      16.971   6.364   2.121
+ATOM    352  C   ???     1      16.971  10.607   2.121
+ATOM    353  C   ???     1      16.971  14.849   2.121
+ATOM    354  C   ???     1      16.971   2.121   6.364
+ATOM    355  C   ???     1      16.971   6.364   6.364
+ATOM    356  C   ???     1      16.971  10.607   6.364
+ATOM    357  C   ???     1      16.971  14.849   6.364
+ATOM    358  C   ???     1      16.971   2.121  10.607
+ATOM    359  C   ???     1      16.971   6.364  10.607
+ATOM    360  C   ???     1      16.971  10.607  10.607
+ATOM    361  C   ???     1      16.971  14.849  10.607
+ATOM    362  C   ???     1      16.971   2.121  14.849
+ATOM    363  C   ???     1      16.971   6.364  14.849
+ATOM    364  C   ???     1      16.971  10.607  14.849
+ATOM    365  C   ???     1      16.971  14.849  14.849
+ATOM    366  C   ???     1       1.061   1.061   1.061
+ATOM    367  C   ???     1       5.303   1.061   1.061
+ATOM    368  C   ???     1       9.546   1.061   1.061
+ATOM    369  C   ???     1      13.789   1.061   1.061
+ATOM    370  C   ???     1       1.061   5.303   1.061
+ATOM    371  C   ???     1       5.303   5.303   1.061
+ATOM    372  C   ???     1       9.546   5.303   1.061
+ATOM    373  C   ???     1      13.789   5.303   1.061
+ATOM    374  C   ???     1       1.061   9.546   1.061
+ATOM    375  C   ???     1       5.303   9.546   1.061
+ATOM    376  C   ???     1       9.546   9.546   1.061
+ATOM    377  C   ???     1      13.789   9.546   1.061
+ATOM    378  C   ???     1       1.061  13.789   1.061
+ATOM    379  C   ???     1       5.303  13.789   1.061
+ATOM    380  C   ???     1       9.546  13.789   1.061
+ATOM    381  C   ???     1      13.789  13.789   1.061
+ATOM    382  C   ???     1       1.061   1.061   5.303
+ATOM    383  C   ???     1       5.303   1.061   5.303
+ATOM    384  C   ???     1       9.546   1.061   5.303
+ATOM    385  C   ???     1      13.789   1.061   5.303
+ATOM    386  C   ???     1       1.061   5.303   5.303
+ATOM    387  C   ???     1       5.303   5.303   5.303
+ATOM    388  C   ???     1       9.546   5.303   5.303
+ATOM    389  C   ???     1      13.789   5.303   5.303
+ATOM    390  C   ???     1       1.061   9.546   5.303
+ATOM    391  C   ???     1       5.303   9.546   5.303
+ATOM    392  C   ???     1       9.546   9.546   5.303
+ATOM    393  C   ???     1      13.789   9.546   5.303
+ATOM    394  C   ???     1       1.061  13.789   5.303
+ATOM    395  C   ???     1       5.303  13.789   5.303
+ATOM    396  C   ???     1       9.546  13.789   5.303
+ATOM    397  C   ???     1      13.789  13.789   5.303
+ATOM    398  C   ???     1       1.061   1.061   9.546
+ATOM    399  C   ???     1       5.303   1.061   9.546
+ATOM    400  C   ???     1       9.546   1.061   9.546
+ATOM    401  C   ???     1      13.789   1.061   9.546
+ATOM    402  C   ???     1       1.061   5.303   9.546
+ATOM    403  C   ???     1       5.303   5.303   9.546
+ATOM    404  C   ???     1       9.546   5.303   9.546
+ATOM    405  C   ???     1      13.789   5.303   9.546
+ATOM    406  C   ???     1       1.061   9.546   9.546
+ATOM    407  C   ???     1       5.303   9.546   9.546
+ATOM    408  C   ???     1       9.546   9.546   9.546
+ATOM    409  C   ???     1      13.789   9.546   9.546
+ATOM    410  C   ???     1       1.061  13.789   9.546
+ATOM    411  C   ???     1       5.303  13.789   9.546
+ATOM    412  C   ???     1       9.546  13.789   9.546
+ATOM    413  C   ???     1      13.789  13.789   9.546
+ATOM    414  C   ???     1       1.061   1.061  13.789
+ATOM    415  C   ???     1       5.303   1.061  13.789
+ATOM    416  C   ???     1       9.546   1.061  13.789
+ATOM    417  C   ???     1      13.789   1.061  13.789
+ATOM    418  C   ???     1       1.061   5.303  13.789
+ATOM    419  C   ???     1       5.303   5.303  13.789
+ATOM    420  C   ???     1       9.546   5.303  13.789
+ATOM    421  C   ???     1      13.789   5.303  13.789
+ATOM    422  C   ???     1       1.061   9.546  13.789
+ATOM    423  C   ???     1       5.303   9.546  13.789
+ATOM    424  C   ???     1       9.546   9.546  13.789
+ATOM    425  C   ???     1      13.789   9.546  13.789
+ATOM    426  C   ???     1       1.061  13.789  13.789
+ATOM    427  C   ???     1       5.303  13.789  13.789
+ATOM    428  C   ???     1       9.546  13.789  13.789
+ATOM    429  C   ???     1      13.789  13.789  13.789
+ATOM    430  C   ???     1       3.182   1.061   3.182
+ATOM    431  C   ???     1       7.425   1.061   3.182
+ATOM    432  C   ???     1      11.667   1.061   3.182
+ATOM    433  C   ???     1      15.910   1.061   3.182
+ATOM    434  C   ???     1       3.182   5.303   3.182
+ATOM    435  C   ???     1       7.425   5.303   3.182
+ATOM    436  C   ???     1      11.667   5.303   3.182
+ATOM    437  C   ???     1      15.910   5.303   3.182
+ATOM    438  C   ???     1       3.182   9.546   3.182
+ATOM    439  C   ???     1       7.425   9.546   3.182
+ATOM    440  C   ???     1      11.667   9.546   3.182
+ATOM    441  C   ???     1      15.910   9.546   3.182
+ATOM    442  C   ???     1       3.182  13.789   3.182
+ATOM    443  C   ???     1       7.425  13.789   3.182
+ATOM    444  C   ???     1      11.667  13.789   3.182
+ATOM    445  C   ???     1      15.910  13.789   3.182
+ATOM    446  C   ???     1       3.182   1.061   7.425
+ATOM    447  C   ???     1       7.425   1.061   7.425
+ATOM    448  C   ???     1      11.667   1.061   7.425
+ATOM    449  C   ???     1      15.910   1.061   7.425
+ATOM    450  C   ???     1       3.182   5.303   7.425
+ATOM    451  C   ???     1       7.425   5.303   7.425
+ATOM    452  C   ???     1      11.667   5.303   7.425
+ATOM    453  C   ???     1      15.910   5.303   7.425
+ATOM    454  C   ???     1       3.182   9.546   7.425
+ATOM    455  C   ???     1       7.425   9.546   7.425
+ATOM    456  C   ???     1      11.667   9.546   7.425
+ATOM    457  C   ???     1      15.910   9.546   7.425
+ATOM    458  C   ???     1       3.182  13.789   7.425
+ATOM    459  C   ???     1       7.425  13.789   7.425
+ATOM    460  C   ???     1      11.667  13.789   7.425
+ATOM    461  C   ???     1      15.910  13.789   7.425
+ATOM    462  C   ???     1       3.182   1.061  11.667
+ATOM    463  C   ???     1       7.425   1.061  11.667
+ATOM    464  C   ???     1      11.667   1.061  11.667
+ATOM    465  C   ???     1      15.910   1.061  11.667
+ATOM    466  C   ???     1       3.182   5.303  11.667
+ATOM    467  C   ???     1       7.425   5.303  11.667
+ATOM    468  C   ???     1      11.667   5.303  11.667
+ATOM    469  C   ???     1      15.910   5.303  11.667
+ATOM    470  C   ???     1       3.182   9.546  11.667
+ATOM    471  C   ???     1       7.425   9.546  11.667
+ATOM    472  C   ???     1      11.667   9.546  11.667
+ATOM    473  C   ???     1      15.910   9.546  11.667
+ATOM    474  C   ???     1       3.182  13.789  11.667
+ATOM    475  C   ???     1       7.425  13.789  11.667
+ATOM    476  C   ???     1      11.667  13.789  11.667
+ATOM    477  C   ???     1      15.910  13.789  11.667
+ATOM    478  C   ???     1       3.182   1.061  15.910
+ATOM    479  C   ???     1       7.425   1.061  15.910
+ATOM    480  C   ???     1      11.667   1.061  15.910
+ATOM    481  C   ???     1      15.910   1.061  15.910
+ATOM    482  C   ???     1       3.182   5.303  15.910
+ATOM    483  C   ???     1       7.425   5.303  15.910
+ATOM    484  C   ???     1      11.667   5.303  15.910
+ATOM    485  C   ???     1      15.910   5.303  15.910
+ATOM    486  C   ???     1       3.182   9.546  15.910
+ATOM    487  C   ???     1       7.425   9.546  15.910
+ATOM    488  C   ???     1      11.667   9.546  15.910
+ATOM    489  C   ???     1      15.910   9.546  15.910
+ATOM    490  C   ???     1       3.182  13.789  15.910
+ATOM    491  C   ???     1       7.425  13.789  15.910
+ATOM    492  C   ???     1      11.667  13.789  15.910
+ATOM    493  C   ???     1      15.910  13.789  15.910
+ATOM    494  C   ???     1       1.061   3.182   3.182
+ATOM    495  C   ???     1       5.303   3.182   3.182
+ATOM    496  C   ???     1       9.546   3.182   3.182
+ATOM    497  C   ???     1      13.789   3.182   3.182
+ATOM    498  C   ???     1       1.061   7.425   3.182
+ATOM    499  C   ???     1       5.303   7.425   3.182
+ATOM    500  C   ???     1       9.546   7.425   3.182
+ATOM    501  C   ???     1      13.789   7.425   3.182
+ATOM    502  C   ???     1       1.061  11.667   3.182
+ATOM    503  C   ???     1       5.303  11.667   3.182
+ATOM    504  C   ???     1       9.546  11.667   3.182
+ATOM    505  C   ???     1      13.789  11.667   3.182
+ATOM    506  C   ???     1       1.061  15.910   3.182
+ATOM    507  C   ???     1       5.303  15.910   3.182
+ATOM    508  C   ???     1       9.546  15.910   3.182
+ATOM    509  C   ???     1      13.789  15.910   3.182
+ATOM    510  C   ???     1       1.061   3.182   7.425
+ATOM    511  C   ???     1       5.303   3.182   7.425
+ATOM    512  C   ???     1       9.546   3.182   7.425
+ATOM    513  C   ???     1      13.789   3.182   7.425
+ATOM    514  C   ???     1       1.061   7.425   7.425
+ATOM    515  C   ???     1       5.303   7.425   7.425
+ATOM    516  C   ???     1       9.546   7.425   7.425
+ATOM    517  C   ???     1      13.789   7.425   7.425
+ATOM    518  C   ???     1       1.061  11.667   7.425
+ATOM    519  C   ???     1       5.303  11.667   7.425
+ATOM    520  C   ???     1       9.546  11.667   7.425
+ATOM    521  C   ???     1      13.789  11.667   7.425
+ATOM    522  C   ???     1       1.061  15.910   7.425
+ATOM    523  C   ???     1       5.303  15.910   7.425
+ATOM    524  C   ???     1       9.546  15.910   7.425
+ATOM    525  C   ???     1      13.789  15.910   7.425
+ATOM    526  C   ???     1       1.061   3.182  11.667
+ATOM    527  C   ???     1       5.303   3.182  11.667
+ATOM    528  C   ???     1       9.546   3.182  11.667
+ATOM    529  C   ???     1      13.789   3.182  11.667
+ATOM    530  C   ???     1       1.061   7.425  11.667
+ATOM    531  C   ???     1       5.303   7.425  11.667
+ATOM    532  C   ???     1       9.546   7.425  11.667
+ATOM    533  C   ???     1      13.789   7.425  11.667
+ATOM    534  C   ???     1       1.061  11.667  11.667
+ATOM    535  C   ???     1       5.303  11.667  11.667
+ATOM    536  C   ???     1       9.546  11.667  11.667
+ATOM    537  C   ???     1      13.789  11.667  11.667
+ATOM    538  C   ???     1       1.061  15.910  11.667
+ATOM    539  C   ???     1       5.303  15.910  11.667
+ATOM    540  C   ???     1       9.546  15.910  11.667
+ATOM    541  C   ???     1      13.789  15.910  11.667
+ATOM    542  C   ???     1       1.061   3.182  15.910
+ATOM    543  C   ???     1       5.303   3.182  15.910
+ATOM    544  C   ???     1       9.546   3.182  15.910
+ATOM    545  C   ???     1      13.789   3.182  15.910
+ATOM    546  C   ???     1       1.061   7.425  15.910
+ATOM    547  C   ???     1       5.303   7.425  15.910
+ATOM    548  C   ???     1       9.546   7.425  15.910
+ATOM    549  C   ???     1      13.789   7.425  15.910
+ATOM    550  C   ???     1       1.061  11.667  15.910
+ATOM    551  C   ???     1       5.303  11.667  15.910
+ATOM    552  C   ???     1       9.546  11.667  15.910
+ATOM    553  C   ???     1      13.789  11.667  15.910
+ATOM    554  C   ???     1       1.061  15.910  15.910
+ATOM    555  C   ???     1       5.303  15.910  15.910
+ATOM    556  C   ???     1       9.546  15.910  15.910
+ATOM    557  C   ???     1      13.789  15.910  15.910
+ATOM    558  C   ???     1       3.182   3.182   1.061
+ATOM    559  C   ???     1       7.425   3.182   1.061
+ATOM    560  C   ???     1      11.667   3.182   1.061
+ATOM    561  C   ???     1      15.910   3.182   1.061
+ATOM    562  C   ???     1       3.182   7.425   1.061
+ATOM    563  C   ???     1       7.425   7.425   1.061
+ATOM    564  C   ???     1      11.667   7.425   1.061
+ATOM    565  C   ???     1      15.910   7.425   1.061
+ATOM    566  C   ???     1       3.182  11.667   1.061
+ATOM    567  C   ???     1       7.425  11.667   1.061
+ATOM    568  C   ???     1      11.667  11.667   1.061
+ATOM    569  C   ???     1      15.910  11.667   1.061
+ATOM    570  C   ???     1       3.182  15.910   1.061
+ATOM    571  C   ???     1       7.425  15.910   1.061
+ATOM    572  C   ???     1      11.667  15.910   1.061
+ATOM    573  C   ???     1      15.910  15.910   1.061
+ATOM    574  C   ???     1       3.182   3.182   5.303
+ATOM    575  C   ???     1       7.425   3.182   5.303
+ATOM    576  C   ???     1      11.667   3.182   5.303
+ATOM    577  C   ???     1      15.910   3.182   5.303
+ATOM    578  C   ???     1       3.182   7.425   5.303
+ATOM    579  C   ???     1       7.425   7.425   5.303
+ATOM    580  C   ???     1      11.667   7.425   5.303
+ATOM    581  C   ???     1      15.910   7.425   5.303
+ATOM    582  C   ???     1       3.182  11.667   5.303
+ATOM    583  C   ???     1       7.425  11.667   5.303
+ATOM    584  C   ???     1      11.667  11.667   5.303
+ATOM    585  C   ???     1      15.910  11.667   5.303
+ATOM    586  C   ???     1       3.182  15.910   5.303
+ATOM    587  C   ???     1       7.425  15.910   5.303
+ATOM    588  C   ???     1      11.667  15.910   5.303
+ATOM    589  C   ???     1      15.910  15.910   5.303
+ATOM    590  C   ???     1       3.182   3.182   9.546
+ATOM    591  C   ???     1       7.425   3.182   9.546
+ATOM    592  C   ???     1      11.667   3.182   9.546
+ATOM    593  C   ???     1      15.910   3.182   9.546
+ATOM    594  C   ???     1       3.182   7.425   9.546
+ATOM    595  C   ???     1       7.425   7.425   9.546
+ATOM    596  C   ???     1      11.667   7.425   9.546
+ATOM    597  C   ???     1      15.910   7.425   9.546
+ATOM    598  C   ???     1       3.182  11.667   9.546
+ATOM    599  C   ???     1       7.425  11.667   9.546
+ATOM    600  C   ???     1      11.667  11.667   9.546
+ATOM    601  C   ???     1      15.910  11.667   9.546
+ATOM    602  C   ???     1       3.182  15.910   9.546
+ATOM    603  C   ???     1       7.425  15.910   9.546
+ATOM    604  C   ???     1      11.667  15.910   9.546
+ATOM    605  C   ???     1      15.910  15.910   9.546
+ATOM    606  C   ???     1       3.182   3.182  13.789
+ATOM    607  C   ???     1       7.425   3.182  13.789
+ATOM    608  C   ???     1      11.667   3.182  13.789
+ATOM    609  C   ???     1      15.910   3.182  13.789
+ATOM    610  C   ???     1       3.182   7.425  13.789
+ATOM    611  C   ???     1       7.425   7.425  13.789
+ATOM    612  C   ???     1      11.667   7.425  13.789
+ATOM    613  C   ???     1      15.910   7.425  13.789
+ATOM    614  C   ???     1       3.182  11.667  13.789
+ATOM    615  C   ???     1       7.425  11.667  13.789
+ATOM    616  C   ???     1      11.667  11.667  13.789
+ATOM    617  C   ???     1      15.910  11.667  13.789
+ATOM    618  C   ???     1       3.182  15.910  13.789
+ATOM    619  C   ???     1       7.425  15.910  13.789
+ATOM    620  C   ???     1      11.667  15.910  13.789
+ATOM    621  C   ???     1      15.910  15.910  13.789
Index: sansview/test/dna.pdb
===================================================================
--- sansview/test/dna.pdb	(revision d7b69130a29f8f8b3d8bf726d21ab5fb39feaad6)
+++ sansview/test/dna.pdb	(revision d7b69130a29f8f8b3d8bf726d21ab5fb39feaad6)
@@ -0,0 +1,975 @@
+HEADER    Aqua:Gervay:chem242:dna.mmc                             
+COMPND    No name                                                     
+ATOM      1  O   ???     1       4.674  19.391 -10.106                                  
+ATOM      2  C   ???     1       4.459  17.981  -9.876                                  
+ATOM      3  C   ???     1       5.288  17.571  -8.673                                  
+ATOM      4  O   ???     1       4.895  17.956  -7.317                                  
+ATOM      5  C   ???     1       5.700  16.166  -8.515                                  
+ATOM      6  O   ???     1       6.993  16.174  -7.868                                  
+ATOM      7  C   ???     1       4.606  15.591  -7.605                                  
+ATOM      8  C   ???     1       4.489  16.741  -6.607                                  
+ATOM      9  N   ???     1       3.143  16.925  -5.903                                  
+ATOM     10  C   ???     1       3.127  17.319  -4.578                                  
+ATOM     11  O   ???     1       4.173  17.497  -3.993                                  
+ATOM     12  N   ???     1       1.955  17.554  -3.958                                  
+ATOM     13  C   ???     1       0.773  17.466  -4.621                                  
+ATOM     14  N   ???     1      -0.393  17.691  -3.955                                  
+ATOM     15  C   ???     1       0.722  17.134  -5.985                                  
+ATOM     16  C   ???     1       1.945  16.843  -6.625                                  
+ATOM     17  P   ???     1       7.833  14.873  -7.879                                  
+ATOM     18  O   ???     1       6.913  13.703  -8.299                                  
+ATOM     19  O   ???     1       9.116  15.075  -8.639                                  
+ATOM     20  O   ???     1       8.137  14.505  -6.390                                  
+ATOM     21  C   ???     1       9.093  15.196  -5.586                                  
+ATOM     22  C   ???     1       8.913  14.574  -4.231                                  
+ATOM     23  O   ???     1       7.518  14.735  -3.865                                  
+ATOM     24  C   ???     1       9.081  13.086  -4.262                                  
+ATOM     25  O   ???     1      10.078  12.703  -3.397                                  
+ATOM     26  C   ???     1       7.686  12.473  -4.029                                  
+ATOM     27  C   ???     1       7.063  13.543  -3.201                                  
+ATOM     28  N   ???     1       5.563  13.566  -3.134                                  
+ATOM     29  C   ???     1       4.657  13.394  -4.141                                  
+ATOM     30  N   ???     1       3.380  13.664  -3.752                                  
+ATOM     31  C   ???     1       3.485  14.024  -2.465                                  
+ATOM     32  C   ???     1       2.474  14.525  -1.574                                  
+ATOM     33  O   ???     1       1.309  14.806  -1.867                                  
+ATOM     34  N   ???     1       2.958  14.808  -0.289                                  
+ATOM     35  C   ???     1       4.279  14.700   0.121                                  
+ATOM     36  N   ???     1       4.596  14.961   1.424                                  
+ATOM     37  N   ???     1       5.242  14.292  -0.749                                  
+ATOM     38  C   ???     1       4.801  13.971  -2.035                                  
+ATOM     39  P   ???     1      10.462  11.185  -3.172                                  
+ATOM     40  O   ???     1       9.914  10.272  -4.247                                  
+ATOM     41  O   ???     1      11.949  11.216  -2.975                                  
+ATOM     42  O   ???     1       9.792  10.862  -1.765                                  
+ATOM     43  C   ???     1      10.265  11.478  -0.528                                  
+ATOM     44  C   ???     1       9.204  11.248   0.526                                  
+ATOM     45  O   ???     1       7.918  11.627   0.016                                  
+ATOM     46  C   ???     1       9.052   9.838   1.036                                  
+ATOM     47  O   ???     1       9.614   9.642   2.306                                  
+ATOM     48  C   ???     1       7.597   9.524   0.982                                  
+ATOM     49  C   ???     1       6.965  10.887   0.744                                  
+ATOM     50  N   ???     1       5.832  10.810  -0.183                                  
+ATOM     51  C   ???     1       4.534  11.009   0.257                                  
+ATOM     52  O   ???     1       4.306  11.269   1.440                                  
+ATOM     53  N   ???     1       3.534  10.905  -0.642                                  
+ATOM     54  C   ???     1       3.770  10.552  -1.926                                  
+ATOM     55  N   ???     1       2.773  10.591  -2.855                                  
+ATOM     56  C   ???     1       5.043  10.250  -2.374                                  
+ATOM     57  C   ???     1       6.091  10.396  -1.479                                  
+ATOM     58  P   ???     1       9.660   8.226   2.989                                  
+ATOM     59  O   ???     1       9.518   7.127   1.928                                  
+ATOM     60  O   ???     1      10.794   8.089   3.999                                  
+ATOM     61  O   ???     1       8.355   8.291   3.834                                  
+ATOM     62  C   ???     1       8.139   9.269   4.865                                  
+ATOM     63  C   ???     1       6.937   8.745   5.644                                  
+ATOM     64  O   ???     1       5.814   8.819   4.753                                  
+ATOM     65  C   ???     1       6.948   7.295   6.225                                  
+ATOM     66  O   ???     1       6.417   7.199   7.512                                  
+ATOM     67  C   ???     1       6.148   6.464   5.250                                  
+ATOM     68  C   ???     1       5.222   7.503   4.599                                  
+ATOM     69  N   ???     1       4.918   7.267   3.140                                  
+ATOM     70  C   ???     1       5.599   6.623   2.107                                  
+ATOM     71  N   ???     1       4.919   6.594   0.951                                  
+ATOM     72  C   ???     1       3.772   7.259   1.254                                  
+ATOM     73  C   ???     1       2.598   7.558   0.439                                  
+ATOM     74  O   ???     1       2.404   7.232  -0.737                                  
+ATOM     75  N   ???     1       1.575   8.214   1.141                                  
+ATOM     76  C   ???     1       1.613   8.566   2.471                                  
+ATOM     77  N   ???     1       0.502   9.125   3.046                                  
+ATOM     78  N   ???     1       2.702   8.309   3.210                                  
+ATOM     79  C   ???     1       3.753   7.669   2.570                                  
+ATOM     80  P   ???     1       6.301   5.803   8.277                                  
+ATOM     81  O   ???     1       6.480   4.589   7.476                                  
+ATOM     82  O   ???     1       7.156   5.937   9.499                                  
+ATOM     83  O   ???     1       4.740   5.694   8.620                                  
+ATOM     84  C   ???     1       3.911   6.858   8.929                                  
+ATOM     85  C   ???     1       2.515   6.690   8.311                                  
+ATOM     86  O   ???     1       2.653   6.561   6.911                                  
+ATOM     87  C   ???     1       1.684   5.487   8.712                                  
+ATOM     88  O   ???     1       0.539   5.815   9.516                                  
+ATOM     89  C   ???     1       1.353   4.792   7.399                                  
+ATOM     90  C   ???     1       1.556   5.869   6.393                                  
+ATOM     91  N   ???     1       1.967   5.365   5.052                                  
+ATOM     92  C   ???     1       3.193   4.822   4.658                                  
+ATOM     93  N   ???     1       3.258   4.448   3.362                                  
+ATOM     94  C   ???     1       2.043   4.779   2.883                                  
+ATOM     95  C   ???     1       1.417   4.673   1.562                                  
+ATOM     96  N   ???     1       2.034   4.100   0.514                                  
+ATOM     97  N   ???     1       0.156   5.177   1.374                                  
+ATOM     98  C   ???     1      -0.498   5.699   2.441                                  
+ATOM     99  N   ???     1      -0.077   5.807   3.720                                  
+ATOM    100  C   ???     1       1.230   5.336   3.901                                  
+ATOM    101  P   ???     1      -0.488   4.701  10.028                                  
+ATOM    102  O   ???     1       0.013   3.297  10.287                                  
+ATOM    103  O   ???     1      -1.183   5.233  11.229                                  
+ATOM    104  O   ???     1      -1.483   4.559   8.784                                  
+ATOM    105  C   ???     1      -2.385   5.609   8.332                                  
+ATOM    106  C   ???     1      -3.291   4.910   7.309                                  
+ATOM    107  O   ???     1      -2.610   4.636   6.060                                  
+ATOM    108  C   ???     1      -3.923   3.568   7.700                                  
+ATOM    109  O   ???     1      -5.162   3.352   7.126                                  
+ATOM    110  C   ???     1      -2.961   2.582   7.123                                  
+ATOM    111  C   ???     1      -2.754   3.200   5.763                                  
+ATOM    112  N   ???     1      -1.583   2.605   5.066                                  
+ATOM    113  C   ???     1      -0.368   2.242   5.588                                  
+ATOM    114  N   ???     1       0.486   1.776   4.665                                  
+ATOM    115  C   ???     1      -0.189   1.878   3.525                                  
+ATOM    116  C   ???     1       0.183   1.571   2.180                                  
+ATOM    117  N   ???     1       1.377   0.958   1.920                                  
+ATOM    118  N   ???     1      -0.730   1.786   1.174                                  
+ATOM    119  C   ???     1      -1.964   2.218   1.475                                  
+ATOM    120  N   ???     1      -2.439   2.500   2.716                                  
+ATOM    121  C   ???     1      -1.479   2.331   3.718                                  
+ATOM    122  P   ???     1      -5.924   1.982   7.353                                  
+ATOM    123  O   ???     1      -5.172   0.938   8.012                                  
+ATOM    124  O   ???     1      -7.186   2.593   7.897                                  
+ATOM    125  O   ???     1      -6.252   1.347   5.938                                  
+ATOM    126  C   ???     1      -6.944   2.135   4.921                                  
+ATOM    127  C   ???     1      -6.715   1.372   3.651                                  
+ATOM    128  O   ???     1      -5.286   1.133   3.458                                  
+ATOM    129  C   ???     1      -7.407   0.057   3.644                                  
+ATOM    130  O   ???     1      -8.489   0.026   2.771                                  
+ATOM    131  C   ???     1      -6.310  -0.990   3.438                                  
+ATOM    132  C   ???     1      -5.156  -0.150   2.865                                  
+ATOM    133  N   ???     1      -3.757  -0.647   3.037                                  
+ATOM    134  C   ???     1      -2.979  -0.923   1.905                                  
+ATOM    135  O   ???     1      -3.374  -0.727   0.747                                  
+ATOM    136  N   ???     1      -1.687  -1.340   2.116                                  
+ATOM    137  C   ???     1      -1.144  -1.494   3.381                                  
+ATOM    138  O   ???     1       0.074  -1.754   3.445                                  
+ATOM    139  C   ???     1      -1.948  -1.227   4.501                                  
+ATOM    140  C   ???     1      -1.422  -1.319   5.892                                  
+ATOM    141  C   ???     1      -3.248  -0.795   4.314                                  
+ATOM    142  P   ???     1      -9.378  -1.306   2.603                                  
+ATOM    143  O   ???     1      -9.127  -2.221   3.726                                  
+ATOM    144  O   ???     1     -10.818  -1.001   2.258                                  
+ATOM    145  O   ???     1      -8.753  -2.007   1.349                                  
+ATOM    146  C   ???     1      -8.460  -1.252   0.127                                  
+ATOM    147  C   ???     1      -7.623  -2.192  -0.688                                  
+ATOM    148  O   ???     1      -6.477  -2.562   0.073                                  
+ATOM    149  C   ???     1      -8.255  -3.511  -1.016                                  
+ATOM    150  O   ???     1      -8.724  -3.527  -2.285                                  
+ATOM    151  C   ???     1      -7.224  -4.587  -0.757                                  
+ATOM    152  C   ???     1      -6.004  -3.753  -0.494                                  
+ATOM    153  N   ???     1      -4.890  -4.263   0.346                                  
+ATOM    154  C   ???     1      -3.627  -4.303  -0.238                                  
+ATOM    155  O   ???     1      -3.413  -4.052  -1.439                                  
+ATOM    156  N   ???     1      -2.559  -4.547   0.575                                  
+ATOM    157  C   ???     1      -2.672  -4.694   1.927                                  
+ATOM    158  O   ???     1      -1.603  -4.845   2.510                                  
+ATOM    159  C   ???     1      -3.962  -4.607   2.537                                  
+ATOM    160  C   ???     1      -4.169  -4.666   4.067                                  
+ATOM    161  C   ???     1      -5.072  -4.416   1.690                                  
+ATOM    162  P   ???     1      -9.083  -4.896  -2.982                                  
+ATOM    163  O   ???     1      -9.692  -5.915  -2.114                                  
+ATOM    164  O   ???     1      -9.784  -4.333  -4.195                                  
+ATOM    165  O   ???     1      -7.769  -5.544  -3.501                                  
+ATOM    166  C   ???     1      -6.988  -4.787  -4.548                                  
+ATOM    167  C   ???     1      -5.787  -5.605  -4.680                                  
+ATOM    168  O   ???     1      -5.186  -5.816  -3.381                                  
+ATOM    169  C   ???     1      -6.160  -6.983  -5.172                                  
+ATOM    170  O   ???     1      -5.775  -7.049  -6.554                                  
+ATOM    171  C   ???     1      -5.475  -7.989  -4.170                                  
+ATOM    172  C   ???     1      -4.470  -7.095  -3.471                                  
+ATOM    173  N   ???     1      -4.143  -7.481  -2.064                                  
+ATOM    174  C   ???     1      -2.880  -7.900  -1.674                                  
+ATOM    175  O   ???     1      -1.981  -8.028  -2.497                                  
+ATOM    176  N   ???     1      -2.644  -8.106  -0.357                                  
+ATOM    177  C   ???     1      -3.593  -7.906   0.580                                  
+ATOM    178  N   ???     1      -3.294  -8.029   1.897                                  
+ATOM    179  C   ???     1      -4.887  -7.515   0.234                                  
+ATOM    180  C   ???     1      -5.144  -7.290  -1.118                                  
+ATOM    181  P   ???     1      -6.271  -8.185  -7.504                                  
+ATOM    182  O   ???     1      -7.612  -8.682  -7.077                                  
+ATOM    183  O   ???     1      -6.109  -7.701  -8.887                                  
+ATOM    184  O   ???     1      -5.255  -9.348  -7.127                                  
+ATOM    185  C   ???     1      -3.864  -9.233  -7.443                                  
+ATOM    186  C   ???     1      -3.265 -10.503  -6.982                                  
+ATOM    187  O   ???     1      -3.388 -10.408  -5.569                                  
+ATOM    188  C   ???     1      -3.913 -11.848  -7.400                                  
+ATOM    189  O   ???     1      -2.906 -12.861  -7.541                                  
+ATOM    190  C   ???     1      -4.865 -12.134  -6.218                                  
+ATOM    191  C   ???     1      -3.937 -11.700  -5.115                                  
+ATOM    192  N   ???     1      -4.370 -11.653  -3.684                                  
+ATOM    193  C   ???     1      -5.572 -11.359  -3.092                                  
+ATOM    194  N   ???     1      -5.502 -11.208  -1.750                                  
+ATOM    195  C   ???     1      -4.184 -11.405  -1.464                                  
+ATOM    196  C   ???     1      -3.484 -11.398  -0.187                                  
+ATOM    197  O   ???     1      -3.973 -11.294   0.939                                  
+ATOM    198  N   ???     1      -2.117 -11.651  -0.293                                  
+ATOM    199  C   ???     1      -1.432 -11.934  -1.458                                  
+ATOM    200  N   ???     1      -0.114 -12.247  -1.341                                  
+ATOM    201  N   ???     1      -2.059 -11.968  -2.664                                  
+ATOM    202  C   ???     1      -3.452 -11.687  -2.620                                  
+ATOM    203  P   ???     1      -2.430 -13.413  -8.952                                  
+ATOM    204  O   ???     1      -3.259 -14.642  -9.185                                  
+ATOM    205  O   ???     1      -2.433 -12.356 -10.046                                  
+ATOM    206  O   ???     1      -0.882 -13.756  -8.697                                  
+ATOM    207  C   ???     1       0.079 -12.685  -8.383                                  
+ATOM    208  C   ???     1       1.266 -13.194  -7.564                                  
+ATOM    209  O   ???     1       0.999 -13.349  -6.166                                  
+ATOM    210  C   ???     1       1.851 -14.504  -7.958                                  
+ATOM    211  O   ???     1       3.274 -14.536  -7.758                                  
+ATOM    212  C   ???     1       1.034 -15.479  -7.076                                  
+ATOM    213  C   ???     1       1.061 -14.732  -5.783                                  
+ATOM    214  N   ???     1       0.018 -15.063  -4.744                                  
+ATOM    215  C   ???     1       0.371 -15.193  -3.394                                  
+ATOM    216  O   ???     1       1.555 -15.059  -3.043                                  
+ATOM    217  N   ???     1      -0.605 -15.422  -2.469                                  
+ATOM    218  C   ???     1      -1.903 -15.490  -2.823                                  
+ATOM    219  N   ???     1      -2.850 -15.626  -1.852                                  
+ATOM    220  C   ???     1      -2.311 -15.339  -4.167                                  
+ATOM    221  C   ???     1      -1.315 -15.115  -5.135                                  
+ATOM    222  P   ???     1       4.029 -15.922  -7.818                                  
+ATOM    223  O   ???     1       3.416 -16.861  -8.809                                  
+ATOM    224  O   ???     1       5.487 -15.559  -8.011                                  
+ATOM    225  O   ???     1       3.714 -16.639  -6.402                                  
+ATOM    226  C   ???     1       4.699 -16.656  -5.290                                  
+ATOM    227  C   ???     1       4.464 -17.877  -4.385                                  
+ATOM    228  O   ???     1       3.153 -17.818  -3.885                                  
+ATOM    229  C   ???     1       4.685 -19.342  -4.849                                  
+ATOM    230  O   ???     1       5.420 -20.114  -3.884                                  
+ATOM    231  C   ???     1       3.295 -19.890  -5.050                                  
+ATOM    232  C   ???     1       2.531 -19.057  -4.020                                  
+ATOM    233  N   ???     1       1.056 -18.734  -4.183                                  
+ATOM    234  C   ???     1       0.273 -18.422  -5.264                                  
+ATOM    235  N   ???     1      -1.031 -18.317  -4.953                                  
+ATOM    236  C   ???     1      -1.093 -18.575  -3.620                                  
+ATOM    237  C   ???     1      -2.226 -18.671  -2.719                                  
+ATOM    238  O   ???     1      -3.418 -18.578  -2.959                                  
+ATOM    239  N   ???     1      -1.866 -18.877  -1.414                                  
+ATOM    240  C   ???     1      -0.581 -18.991  -0.915                                  
+ATOM    241  N   ???     1      -0.396 -19.286   0.409                                  
+ATOM    242  N   ???     1       0.472 -18.926  -1.725                                  
+ATOM    243  C   ???     1       0.163 -18.734  -3.100                                  
+ATOM    244  O   ???     1      -6.680 -19.825   7.699                                  
+ATOM    245  C   ???     1      -6.306 -20.194   6.315                                  
+ATOM    246  C   ???     1      -5.053 -19.445   5.920                                  
+ATOM    247  O   ???     1      -4.418 -19.699   4.659                                  
+ATOM    248  C   ???     1      -4.994 -17.972   6.135                                  
+ATOM    249  O   ???     1      -3.710 -17.604   6.687                                  
+ATOM    250  C   ???     1      -5.163 -17.510   4.681                                  
+ATOM    251  C   ???     1      -4.498 -18.548   3.817                                  
+ATOM    252  N   ???     1      -5.087 -18.713   2.382                                  
+ATOM    253  C   ???     1      -4.235 -18.653   1.283                                  
+ATOM    254  O   ???     1      -3.023 -18.634   1.498                                  
+ATOM    255  N   ???     1      -4.753 -18.618   0.009                                  
+ATOM    256  C   ???     1      -6.087 -18.707  -0.208                                  
+ATOM    257  N   ???     1      -6.569 -18.815  -1.491                                  
+ATOM    258  C   ???     1      -6.991 -18.809   0.869                                  
+ATOM    259  C   ???     1      -6.468 -18.783   2.177                                  
+ATOM    260  P   ???     1      -3.519 -16.827   8.069                                  
+ATOM    261  O   ???     1      -4.231 -15.537   8.035                                  
+ATOM    262  O   ???     1      -3.821 -17.708   9.240                                  
+ATOM    263  O   ???     1      -1.956 -16.549   8.073                                  
+ATOM    264  C   ???     1      -0.947 -17.650   8.003                                  
+ATOM    265  C   ???     1       0.325 -17.111   7.352                                  
+ATOM    266  O   ???     1       0.066 -17.132   5.962                                  
+ATOM    267  C   ???     1       0.613 -15.669   7.661                                  
+ATOM    268  O   ???     1       1.856 -15.388   8.203                                  
+ATOM    269  C   ???     1       0.265 -14.853   6.465                                  
+ATOM    270  C   ???     1       0.285 -15.854   5.380                                  
+ATOM    271  N   ???     1      -0.824 -15.536   4.452                                  
+ATOM    272  C   ???     1      -2.113 -15.141   4.752                                  
+ATOM    273  N   ???     1      -2.810 -14.728   3.684                                  
+ATOM    274  C   ???     1      -1.957 -14.896   2.652                                  
+ATOM    275  C   ???     1      -2.142 -14.574   1.260                                  
+ATOM    276  O   ???     1      -3.179 -14.132   0.774                                  
+ATOM    277  N   ???     1      -1.001 -14.804   0.451                                  
+ATOM    278  C   ???     1       0.192 -15.336   0.902                                  
+ATOM    279  N   ???     1       1.184 -15.515   0.002                                  
+ATOM    280  N   ???     1       0.382 -15.672   2.205                                  
+ATOM    281  C   ???     1      -0.729 -15.444   3.059                                  
+ATOM    282  P   ???     1       2.293 -13.866   8.376                                  
+ATOM    283  O   ???     1       1.086 -13.042   8.626                                  
+ATOM    284  O   ???     1       3.396 -13.816   9.377                                  
+ATOM    285  O   ???     1       2.922 -13.420   7.025                                  
+ATOM    286  C   ???     1       4.007 -14.108   6.407                                  
+ATOM    287  C   ???     1       4.054 -13.498   5.013                                  
+ATOM    288  O   ???     1       2.780 -13.607   4.393                                  
+ATOM    289  C   ???     1       4.326 -12.019   4.962                                  
+ATOM    290  O   ???     1       5.715 -11.793   5.178                                  
+ATOM    291  C   ???     1       3.795 -11.615   3.565                                  
+ATOM    292  C   ???     1       2.647 -12.603   3.423                                  
+ATOM    293  N   ???     1       1.244 -12.133   3.536                                  
+ATOM    294  C   ???     1       0.427 -12.102   2.410                                  
+ATOM    295  O   ???     1       0.835 -12.492   1.323                                  
+ATOM    296  N   ???     1      -0.850 -11.713   2.533                                  
+ATOM    297  C   ???     1      -1.391 -11.421   3.723                                  
+ATOM    298  N   ???     1      -2.628 -10.831   3.762                                  
+ATOM    299  C   ???     1      -0.649 -11.574   4.913                                  
+ATOM    300  C   ???     1       0.708 -11.938   4.796                                  
+ATOM    301  P   ???     1       6.336 -10.366   5.128                                  
+ATOM    302  O   ???     1       5.449  -9.428   5.909                                  
+ATOM    303  O   ???     1       7.745 -10.482   5.620                                  
+ATOM    304  O   ???     1       6.290 -10.020   3.569                                  
+ATOM    305  C   ???     1       7.055 -10.811   2.615                                  
+ATOM    306  C   ???     1       6.734 -10.308   1.217                                  
+ATOM    307  O   ???     1       5.297 -10.192   1.100                                  
+ATOM    308  C   ???     1       7.286  -8.975   0.718                                  
+ATOM    309  O   ???     1       7.393  -8.945  -0.714                                  
+ATOM    310  C   ???     1       6.225  -7.973   1.221                                  
+ATOM    311  C   ???     1       4.974  -8.794   0.845                                  
+ATOM    312  N   ???     1       3.773  -8.455   1.602                                  
+ATOM    313  C   ???     1       3.640  -7.981   2.890                                  
+ATOM    314  N   ???     1       2.384  -7.801   3.240                                  
+ATOM    315  C   ???     1       1.667  -8.192   2.129                                  
+ATOM    316  C   ???     1       0.216  -8.383   1.898                                  
+ATOM    317  O   ???     1      -0.692  -8.327   2.724                                  
+ATOM    318  N   ???     1      -0.115  -8.589   0.569                                  
+ATOM    319  C   ???     1       0.807  -8.696  -0.461                                  
+ATOM    320  N   ???     1       0.345  -8.866  -1.749                                  
+ATOM    321  N   ???     1       2.149  -8.691  -0.209                                  
+ATOM    322  C   ???     1       2.524  -8.455   1.086                                  
+ATOM    323  P   ???     1       7.575  -7.564  -1.471                                  
+ATOM    324  O   ???     1       7.955  -6.449  -0.479                                  
+ATOM    325  O   ???     1       8.741  -7.728  -2.458                                  
+ATOM    326  O   ???     1       6.254  -7.373  -2.307                                  
+ATOM    327  C   ???     1       6.024  -8.272  -3.442                                  
+ATOM    328  C   ???     1       5.019  -7.727  -4.455                                  
+ATOM    329  O   ???     1       3.633  -7.467  -4.002                                  
+ATOM    330  C   ???     1       5.448  -6.462  -5.147                                  
+ATOM    331  O   ???     1       5.043  -6.461  -6.529                                  
+ATOM    332  C   ???     1       4.765  -5.380  -4.322                                  
+ATOM    333  C   ???     1       3.522  -6.055  -3.759                                  
+ATOM    334  N   ???     1       3.349  -5.765  -2.284                                  
+ATOM    335  C   ???     1       4.280  -5.485  -1.291                                  
+ATOM    336  N   ???     1       3.718  -5.218  -0.101                                  
+ATOM    337  C   ???     1       2.389  -5.311  -0.337                                  
+ATOM    338  C   ???     1       1.210  -5.068   0.470                                  
+ATOM    339  N   ???     1       1.297  -4.554   1.713                                  
+ATOM    340  N   ???     1      -0.018  -5.382  -0.038                                  
+ATOM    341  C   ???     1      -0.107  -5.816  -1.309                                  
+ATOM    342  N   ???     1       0.900  -5.988  -2.198                                  
+ATOM    343  C   ???     1       2.136  -5.713  -1.640                                  
+ATOM    344  P   ???     1       4.958  -5.104  -7.365                                  
+ATOM    345  O   ???     1       5.978  -4.099  -6.859                                  
+ATOM    346  O   ???     1       5.021  -5.615  -8.756                                  
+ATOM    347  O   ???     1       3.560  -4.533  -7.033                                  
+ATOM    348  C   ???     1       2.362  -5.321  -7.154                                  
+ATOM    349  C   ???     1       1.273  -4.376  -6.720                                  
+ATOM    350  O   ???     1       1.389  -4.141  -5.316                                  
+ATOM    351  C   ???     1       1.322  -2.993  -7.366                                  
+ATOM    352  O   ???     1       0.329  -2.831  -8.391                                  
+ATOM    353  C   ???     1       1.333  -1.991  -6.194                                  
+ATOM    354  C   ???     1       0.897  -2.852  -5.006                                  
+ATOM    355  N   ???     1       1.537  -2.528  -3.709                                  
+ATOM    356  C   ???     1       2.863  -2.388  -3.374                                  
+ATOM    357  N   ???     1       3.059  -2.100  -2.081                                  
+ATOM    358  C   ???     1       1.825  -2.100  -1.562                                  
+ATOM    359  C   ???     1       1.312  -1.785  -0.242                                  
+ATOM    360  N   ???     1       2.105  -1.419   0.792                                  
+ATOM    361  N   ???     1      -0.035  -1.681  -0.088                                  
+ATOM    362  C   ???     1      -0.863  -1.975  -1.112                                  
+ATOM    363  N   ???     1      -0.516  -2.341  -2.360                                  
+ATOM    364  C   ???     1       0.871  -2.352  -2.537                                  
+ATOM    365  P   ???     1       0.096  -1.455  -9.141                                  
+ATOM    366  O   ???     1       1.403  -0.827  -9.454                                  
+ATOM    367  O   ???     1      -0.784  -1.681 -10.328                                  
+ATOM    368  O   ???     1      -0.708  -0.618  -8.042                                  
+ATOM    369  C   ???     1      -2.026  -1.063  -7.621                                  
+ATOM    370  C   ???     1      -2.460  -0.283  -6.398                                  
+ATOM    371  O   ???     1      -1.482  -0.424  -5.323                                  
+ATOM    372  C   ???     1      -2.702   1.209  -6.627                                  
+ATOM    373  O   ???     1      -4.034   1.463  -6.980                                  
+ATOM    374  C   ???     1      -2.262   1.804  -5.316                                  
+ATOM    375  C   ???     1      -1.039   0.909  -5.075                                  
+ATOM    376  N   ???     1      -0.210   0.993  -3.836                                  
+ATOM    377  C   ???     1      -0.736   1.017  -2.546                                  
+ATOM    378  O   ???     1      -1.957   0.851  -2.314                                  
+ATOM    379  N   ???     1       0.164   1.108  -1.498                                  
+ATOM    380  C   ???     1       1.538   1.199  -1.677                                  
+ATOM    381  O   ???     1       2.250   1.226  -0.672                                  
+ATOM    382  C   ???     1       2.054   1.179  -2.992                                  
+ATOM    383  C   ???     1       3.521   1.367  -3.242                                  
+ATOM    384  C   ???     1       1.153   1.065  -4.071                                  
+ATOM    385  P   ???     1      -4.609   2.928  -7.269                                  
+ATOM    386  O   ???     1      -3.623   3.841  -7.848                                  
+ATOM    387  O   ???     1      -5.862   2.588  -8.032                                  
+ATOM    388  O   ???     1      -4.884   3.503  -5.838                                  
+ATOM    389  C   ???     1      -5.822   2.805  -4.954                                  
+ATOM    390  C   ???     1      -5.829   3.570  -3.680                                  
+ATOM    391  O   ???     1      -4.506   3.511  -3.227                                  
+ATOM    392  C   ???     1      -6.172   5.046  -3.735                                  
+ATOM    393  O   ???     1      -7.441   5.291  -3.123                                  
+ATOM    394  C   ???     1      -5.006   5.747  -3.052                                  
+ATOM    395  C   ???     1      -4.274   4.597  -2.370                                  
+ATOM    396  N   ???     1      -2.767   4.703  -2.324                                  
+ATOM    397  C   ???     1      -2.085   4.842  -1.117                                  
+ATOM    398  O   ???     1      -2.678   5.024  -0.043                                  
+ATOM    399  N   ???     1      -0.697   4.808  -1.172                                  
+ATOM    400  C   ???     1       0.014   4.669  -2.366                                  
+ATOM    401  O   ???     1       1.237   4.636  -2.312                                  
+ATOM    402  C   ???     1      -0.682   4.595  -3.576                                  
+ATOM    403  C   ???     1       0.027   4.511  -4.924                                  
+ATOM    404  C   ???     1      -2.079   4.607  -3.526                                  
+ATOM    405  P   ???     1      -8.018   6.766  -2.948                                  
+ATOM    406  O   ???     1      -7.635   7.566  -4.152                                  
+ATOM    407  O   ???     1      -9.476   6.706  -2.680                                  
+ATOM    408  O   ???     1      -7.320   7.281  -1.652                                  
+ATOM    409  C   ???     1      -7.634   6.745  -0.332                                  
+ATOM    410  C   ???     1      -6.740   7.536   0.578                                  
+ATOM    411  O   ???     1      -5.356   7.300   0.129                                  
+ATOM    412  C   ???     1      -6.992   9.072   0.483                                  
+ATOM    413  O   ???     1      -7.500   9.642   1.681                                  
+ATOM    414  C   ???     1      -5.648   9.640   0.010                                  
+ATOM    415  C   ???     1      -4.683   8.515   0.475                                  
+ATOM    416  N   ???     1      -3.379   8.489  -0.149                                  
+ATOM    417  C   ???     1      -2.166   8.504   0.541                                  
+ATOM    418  O   ???     1      -2.158   8.517   1.779                                  
+ATOM    419  N   ???     1      -1.010   8.423  -0.184                                  
+ATOM    420  C   ???     1      -1.042   8.316  -1.562                                  
+ATOM    421  N   ???     1       0.083   8.179  -2.370                                  
+ATOM    422  C   ???     1      -2.249   8.284  -2.244                                  
+ATOM    423  C   ???     1      -3.426   8.372  -1.520                                  
+ATOM    424  P   ???     1      -8.072  11.149   1.769                                  
+ATOM    425  O   ???     1      -8.359  11.946   0.569                                  
+ATOM    426  O   ???     1      -9.253  11.131   2.697                                  
+ATOM    427  O   ???     1      -6.842  11.901   2.427                                  
+ATOM    428  C   ???     1      -6.195  11.442   3.679                                  
+ATOM    429  C   ???     1      -4.912  12.282   3.817                                  
+ATOM    430  O   ???     1      -3.876  11.994   2.873                                  
+ATOM    431  C   ???     1      -5.090  13.728   3.629                                  
+ATOM    432  O   ???     1      -4.492  14.502   4.643                                  
+ATOM    433  C   ???     1      -4.542  14.026   2.249                                  
+ATOM    434  C   ???     1      -3.391  13.126   2.230                                  
+ATOM    435  N   ???     1      -2.856  12.707   0.897                                  
+ATOM    436  C   ???     1      -3.473  12.442  -0.319                                  
+ATOM    437  N   ???     1      -2.637  12.015  -1.293                                  
+ATOM    438  C   ???     1      -1.436  12.007  -0.688                                  
+ATOM    439  C   ???     1      -0.127  11.608  -1.179                                  
+ATOM    440  O   ???     1       0.172  11.212  -2.291                                  
+ATOM    441  N   ???     1       0.874  11.683  -0.204                                  
+ATOM    442  C   ???     1       0.686  12.119   1.100                                  
+ATOM    443  N   ???     1       1.749  12.103   1.939                                  
+ATOM    444  N   ???     1      -0.519  12.555   1.528                                  
+ATOM    445  C   ???     1      -1.544  12.446   0.633                                  
+ATOM    446  P   ???     1      -5.127  15.894   4.858                                  
+ATOM    447  O   ???     1      -5.425  16.629   3.561                                  
+ATOM    448  O   ???     1      -6.250  15.527   5.754                                  
+ATOM    449  O   ???     1      -4.002  16.793   5.584                                  
+ATOM    450  C   ???     1      -3.238  16.255   6.678                                  
+ATOM    451  C   ???     1      -1.830  16.039   6.216                                  
+ATOM    452  O   ???     1      -1.871  15.509   4.883                                  
+ATOM    453  C   ???     1      -0.873  17.253   6.173                                  
+ATOM    454  O   ???     1      -0.153  17.520   7.416                                  
+ATOM    455  C   ???     1       0.090  16.942   5.027                                  
+ATOM    456  C   ???     1      -0.595  15.819   4.260                                  
+ATOM    457  N   ???     1      -0.730  16.057   2.785                                  
+ATOM    458  C   ???     1       0.227  15.578   1.903                                  
+ATOM    459  O   ???     1       1.293  15.046   2.291                                  
+ATOM    460  N   ???     1      -0.055  15.614   0.600                                  
+ATOM    461  C   ???     1      -1.197  16.106   0.107                                  
+ATOM    462  N   ???     1      -1.457  15.971  -1.213                                  
+ATOM    463  C   ???     1      -2.157  16.670   0.937                                  
+ATOM    464  C   ???     1      -1.890  16.634   2.320                                  
+ATOM    465  P   ???     1       0.085  19.035   7.891                                  
+ATOM    466  O   ???     1      -1.103  19.918   7.465                                  
+ATOM    467  O   ???     1       0.455  19.118   9.333                                  
+ATOM    468  O   ???     1       1.304  19.503   6.967                                  
+ATOM    469  C   ???     1       2.588  19.092   7.215                                  
+ATOM    470  C   ???     1       3.346  19.369   5.986                                  
+ATOM    471  O   ???     1       2.968  18.509   4.924                                  
+ATOM    472  C   ???     1       3.325  20.751   5.383                                  
+ATOM    473  O   ???     1       3.907  21.749   6.266                                  
+ATOM    474  C   ???     1       4.203  20.393   4.162                                  
+ATOM    475  C   ???     1       3.516  19.074   3.711                                  
+ATOM    476  N   ???     1       2.407  19.227   2.697                                  
+ATOM    477  C   ???     1       1.165  19.783   2.799                                  
+ATOM    478  N   ???     1       0.472  19.784   1.639                                  
+ATOM    479  C   ???     1       1.290  19.206   0.763                                  
+ATOM    480  C   ???     1       1.097  18.852  -0.624                                  
+ATOM    481  O   ???     1       0.123  18.893  -1.321                                  
+ATOM    482  N   ???     1       2.227  18.334  -1.206                                  
+ATOM    483  C   ???     1       3.438  18.092  -0.570                                  
+ATOM    484  N   ???     1       4.500  17.628  -1.280                                  
+ATOM    485  N   ???     1       3.571  18.322   0.734                                  
+ATOM    486  C   ???     1       2.483  18.897   1.373                                  
+CONECT    1    2                                             
+CONECT    2    1    3                                        
+CONECT    3    2    4    5                                   
+CONECT    4    3    8                                        
+CONECT    5    3    6    7                                   
+CONECT    6    5   17                                        
+CONECT    7    5    8                                        
+CONECT    8    4    7    9                                   
+CONECT    9    8   10   16                                   
+CONECT   10    9   11   12                                   
+CONECT   11   10                                             
+CONECT   12   10   13                                        
+CONECT   13   12   14   15                                   
+CONECT   14   13                                             
+CONECT   15   13   16                                        
+CONECT   16    9   15                                        
+CONECT   17    6   18   19   20                              
+CONECT   18   17                                             
+CONECT   19   17                                             
+CONECT   20   17   21                                        
+CONECT   21   20   22                                        
+CONECT   22   21   23   24                                   
+CONECT   23   22   27                                        
+CONECT   24   22   25   26                                   
+CONECT   25   24   39                                        
+CONECT   26   24   27                                        
+CONECT   27   23   26   28                                   
+CONECT   28   27   29   38                                   
+CONECT   29   28   30                                        
+CONECT   30   29   31                                        
+CONECT   31   30   32   38                                   
+CONECT   32   31   33   34                                   
+CONECT   33   32                                             
+CONECT   34   32   35                                        
+CONECT   35   34   36   37                                   
+CONECT   36   35                                             
+CONECT   37   35   38                                        
+CONECT   38   28   31   37                                   
+CONECT   39   25   40   41   42                              
+CONECT   40   39                                             
+CONECT   41   39                                             
+CONECT   42   39   43                                        
+CONECT   43   42   44                                        
+CONECT   44   43   45   46                                   
+CONECT   45   44   49                                        
+CONECT   46   44   47   48                                   
+CONECT   47   46   58                                        
+CONECT   48   46   49                                        
+CONECT   49   45   48   50                                   
+CONECT   50   49   51   57                                   
+CONECT   51   50   52   53                                   
+CONECT   52   51                                             
+CONECT   53   51   54                                        
+CONECT   54   53   55   56                                   
+CONECT   55   54                                             
+CONECT   56   54   57                                        
+CONECT   57   50   56                                        
+CONECT   58   47   59   60   61                              
+CONECT   59   58                                             
+CONECT   60   58                                             
+CONECT   61   58   62                                        
+CONECT   62   61   63                                        
+CONECT   63   62   64   65                                   
+CONECT   64   63   68                                        
+CONECT   65   63   66   67                                   
+CONECT   66   65   80                                        
+CONECT   67   65   68                                        
+CONECT   68   64   67   69                                   
+CONECT   69   68   70   79                                   
+CONECT   70   69   71                                        
+CONECT   71   70   72                                        
+CONECT   72   71   73   79                                   
+CONECT   73   72   74   75                                   
+CONECT   74   73                                             
+CONECT   75   73   76                                        
+CONECT   76   75   77   78                                   
+CONECT   77   76                                             
+CONECT   78   76   79                                        
+CONECT   79   69   72   78                                   
+CONECT   80   66   81   82   83                              
+CONECT   81   80                                             
+CONECT   82   80                                             
+CONECT   83   80   84                                        
+CONECT   84   83   85                                        
+CONECT   85   84   86   87                                   
+CONECT   86   85   90                                        
+CONECT   87   85   88   89                                   
+CONECT   88   87  101                                        
+CONECT   89   87   90                                        
+CONECT   90   86   89   91                                   
+CONECT   91   90   92  100                                   
+CONECT   92   91   93                                        
+CONECT   93   92   94                                        
+CONECT   94   93   95  100                                   
+CONECT   95   94   96   97                                   
+CONECT   96   95                                             
+CONECT   97   95   98                                        
+CONECT   98   97   99                                        
+CONECT   99   98  100                                        
+CONECT  100   91   94   99                                   
+CONECT  101   88  102  103  104                              
+CONECT  102  101                                             
+CONECT  103  101                                             
+CONECT  104  101  105                                        
+CONECT  105  104  106                                        
+CONECT  106  105  107  108                                   
+CONECT  107  106  111                                        
+CONECT  108  106  109  110                                   
+CONECT  109  108  122                                        
+CONECT  110  108  111                                        
+CONECT  111  107  110  112                                   
+CONECT  112  111  113  121                                   
+CONECT  113  112  114                                        
+CONECT  114  113  115                                        
+CONECT  115  114  116  121                                   
+CONECT  116  115  117  118                                   
+CONECT  117  116                                             
+CONECT  118  116  119                                        
+CONECT  119  118  120                                        
+CONECT  120  119  121                                        
+CONECT  121  112  115  120                                   
+CONECT  122  109  123  124  125                              
+CONECT  123  122                                             
+CONECT  124  122                                             
+CONECT  125  122  126                                        
+CONECT  126  125  127                                        
+CONECT  127  126  128  129                                   
+CONECT  128  127  132                                        
+CONECT  129  127  130  131                                   
+CONECT  130  129  142                                        
+CONECT  131  129  132                                        
+CONECT  132  128  131  133                                   
+CONECT  133  132  134  141                                   
+CONECT  134  133  135  136                                   
+CONECT  135  134                                             
+CONECT  136  134  137                                        
+CONECT  137  136  138  139                                   
+CONECT  138  137                                             
+CONECT  139  137  140  141                                   
+CONECT  140  139                                             
+CONECT  141  133  139                                        
+CONECT  142  130  143  144  145                              
+CONECT  143  142                                             
+CONECT  144  142                                             
+CONECT  145  142  146                                        
+CONECT  146  145  147                                        
+CONECT  147  146  148  149                                   
+CONECT  148  147  152                                        
+CONECT  149  147  150  151                                   
+CONECT  150  149  162                                        
+CONECT  151  149  152                                        
+CONECT  152  148  151  153                                   
+CONECT  153  152  154  161                                   
+CONECT  154  153  155  156                                   
+CONECT  155  154                                             
+CONECT  156  154  157                                        
+CONECT  157  156  158  159                                   
+CONECT  158  157                                             
+CONECT  159  157  160  161                                   
+CONECT  160  159                                             
+CONECT  161  153  159                                        
+CONECT  162  150  163  164  165                              
+CONECT  163  162                                             
+CONECT  164  162                                             
+CONECT  165  162  166                                        
+CONECT  166  165  167                                        
+CONECT  167  166  168  169                                   
+CONECT  168  167  172                                        
+CONECT  169  167  170  171                                   
+CONECT  170  169  181                                        
+CONECT  171  169  172                                        
+CONECT  172  168  171  173                                   
+CONECT  173  172  174  180                                   
+CONECT  174  173  175  176                                   
+CONECT  175  174                                             
+CONECT  176  174  177                                        
+CONECT  177  176  178  179                                   
+CONECT  178  177                                             
+CONECT  179  177  180                                        
+CONECT  180  173  179                                        
+CONECT  181  170  182  183  184                              
+CONECT  182  181                                             
+CONECT  183  181                                             
+CONECT  184  181  185                                        
+CONECT  185  184  186                                        
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+CONECT  483  482  484  485                                   
+CONECT  484  483                                             
+CONECT  485  483  486                                        
+CONECT  486  476  479  485                                   
+END   
