* LIGAND DATABASE FILE (OPLS2005)
*
001     104   108    206    341     628
    1     0 S   NP   _N1_     1    29.31407    92.80457   -25.53981
    2     1 S   H    _HN1     2     1.02950    94.69314     9.74649
    3     1 S   H    _H1_     3     1.02828    12.46336  -163.99721
    4     1 S   H    _H2_     4     1.02786   114.31155  -102.82435
    5     1 S   CT   _CA1     5     1.50108   115.31075   124.95180
    6     5 S   HC   _HA1     6     1.09572   105.20730    71.85136
    7     5 S   CO3  _C1_     7     1.53794   112.45547   -48.41150
    8     7 S   O2Z  _O11     8     1.26373   115.01048   -42.87158
    9     7 S   O2Z  _O12     9     1.26240   114.94999   136.29349
   10     5 S   CT   _CB1    10     1.53082   107.42679  -170.15190
   11    10 S   HC   HB11    11     1.09832   109.39980   -49.70117
   12    10 S   HC   HB12    12     1.09814   110.43677    66.91414
   13    10 S   CT   _CG1    13     1.52987   112.59215  -170.67778
   14    13 S   HC   HG11    14     1.09584   110.61748   -65.04011
   15    13 S   HC   HG12    15     1.09668   109.80293    54.19024
   16    13 S   C    _CD1    16     1.51795   112.24903   174.66366
   17    16 S   O    _OE1    17     1.22726   123.28576     5.96706
   18    16 S   N    _N2_    18     1.38647   111.64524  -174.09011
   19    18 S   H    _HN2    19     1.01571   118.93999     2.05386
   20    18 S   CT1  _CA2    20     1.46252   123.44975   178.12633
   21    20 S   HC   _HA2    21     1.09738   109.37359     3.82684
   22    20 S   C    _C2_    22     1.53586   108.52201  -111.68356
   23    22 S   O    _O2_    23     1.23056   122.33399  -147.10495
   24    20 S   CT   _CB2    32     1.53554   111.57856   125.84302
   25    24 S   HC   HB21    33     1.09480   109.33126    56.33405
   26    24 S   HC   HB22    34     1.09320   109.60602   175.28682
   27    22 S   N    _N3_    24     1.38349   113.71000    40.27335
   28    27 S   H    _HN3    25     1.01576   119.59558    -3.13569
   29    24 S   S    _SG2    35     1.83021   110.97026   -64.13027
   30    27 S   CT   _CA3    26     1.45287   123.20364   177.20495
   31    30 S   HC   HA31    27     1.09549   107.49260   -65.02822
   32    30 S   HC   HA32    28     1.09557   108.00525    51.41187
   33    29 S   CT   _C24    36     1.86995   103.20344  -173.93945
   34    30 S   CO3  _C3_    29     1.52960   114.08785   173.42213
   35    34 S   O2Z  _O31    30     1.26376   116.06981    -0.74072
   36    34 S   O2Z  _O32    31     1.26429   114.41033   179.32449
   37    33 S   CM   _C23    37     1.51139   108.48923    68.84161
   38    37 S   HC   _H23    38     1.09071   116.03440   -65.20438
   39    33 S   CT   _C25   101     1.54774   108.89768   -48.20611
   40    39 S   HC   _H24   102     1.09505   112.39526   -52.62372
   41    39 S   HC   _H25   103     1.09735   110.96215  -172.66289
   42    39 S   HC   _H26   104     1.09611   112.57394    69.18208
   43    37 S   CMA  _C22    39     1.34858   127.23125   118.76012
   44    43 S   OM   _O36    40     1.26452   128.21678   175.06334
   45    43 S   CT   _C21    41     1.54391   119.40231    -3.45423
   46    45 S   HC   _H10    42     1.10012   106.29210   100.27674
   47    45 S   CT   _C20    43     1.58556   116.03367   -20.21954
   48    45 S   OH   _O37    99     1.43144   110.38389  -145.33245
   49    48 S   HO   _H27   100     0.97381   106.44283   -29.82703
   50    33 S   CT   _C19    44     1.57614   112.01525  -168.18670
   51    50 S   HC   _H9_    45     1.10237   104.34594   162.42362
   52    47 S   CT   _C26    95     1.54995   108.61685   -72.46541
   53    52 S   HC   _H28    96     1.09063   112.71418   167.25085
   54    52 S   HC   _H29    97     1.09378   111.91227    46.60932
   55    52 S   HC   _H30    98     1.09103   113.11711   -71.06218
   56    50 S   CT   _C18    46     1.54273   113.79114    47.67539
   57    56 S   HC   _H21    47     1.09305   111.71399   -73.39104
   58    56 S   HC   _H22    48     1.09601   109.66091    44.42405
   59    56 S   CT   _C17    49     1.52578   110.70117   163.29439
   60    59 S   HC   _H8_    50     1.09767   108.21104   178.92244
   61    59 S   CT   _C15    51     1.52357   113.14129    56.68755
   62    61 S   CT   _C16    52     1.53940   112.23803    70.44014
   63    62 S   HC   _H19    53     1.09111   113.99104   -36.04383
   64    62 S   HC   _H20    54     1.09521   113.11872    85.40766
   65    61 S   CT   _C10    63     1.57846   107.62223  -169.81713
   66    65 S   HC   _H4_    64     1.10221   107.34914   -58.77325
   67    62 S   OS   _O35    55     1.43850   106.51130  -154.69145
   68    65 S   CT   _C9_    65     1.53924   110.43232    55.96758
   69    68 S   HC   _H3_    66     1.09303   111.01359    69.55324
   70    67 S   CO   _C13    56     1.44535   108.19548     3.20577
   71    68 S   CO4  _C27    67     1.51911   112.28013   -51.42169
   72    71 S   O    _O39    68     1.22812   123.33680  -145.43914
   73    68 S   OS   _O34    70     1.44771   110.64910  -167.89950
   74    47 S   CT   _C14    57     1.61549   109.07033   164.04825
   75    74 S   HC   _H7_    58     1.09340   104.45945   -34.38113
   76    70 S   CT   _C12    59     1.55046   107.12590   -92.52166
   77    76 S   HC   _H6_    60     1.09821   108.24811   -63.86062
   78    59 S   OS   _O38    69     1.44641   105.22019   -67.98878
   79    73 S   CO4  _C8_    71     1.37055   117.38532  -153.35616
   80    79 S   O    _O33    72     1.22545   124.93091     8.25390
   81    70 S   OH   _O40    93     1.41356   110.80090   149.47885
   82    81 S   HO   _H31    94     0.97046   109.05315    87.71322
   83    76 S   CT   _C11    61     1.54013   112.66823    54.35434
   84    83 S   HC   _H5_    62     1.10028   105.45048   -74.77766
   85    79 S   CT   _C6_    73     1.53173   110.90668  -170.71810
   86    76 S   OH   _O41    91     1.42567   111.13133  -178.83467
   87    86 S   HO   _H32    92     0.96931   109.41370   -68.00935
   88    85 S   CT   _C7_    74     1.53095   110.08285    53.50149
   89    88 S   HC   _H16    75     1.09595   110.97927   172.74242
   90    88 S   HC   _H17    76     1.09624   110.73178    54.60774
   91    88 S   HC   _H18    77     1.09499   112.06215   -66.07445
   92    85 S   CT   _C5_    78     1.53691   111.88782   -70.46157
   93    92 S   HC   _H14    79     1.09495   110.40413    58.94141
   94    92 S   HC   _H15    80     1.09772   109.22203   175.99748
   95    85 S   OH   _O42    85     1.42750   107.14541   169.91244
   96    95 S   HO   _H36    86     0.97243   108.10728   178.63341
   97    83 S   CT   _C28    87     1.52548   111.65114   172.78893
   98    97 S   HC   _H33    88     1.09207   112.12822   -62.96594
   99    97 S   HC   _H34    89     1.09385   110.59730   174.74555
  100    97 S   HC   _H35    90     1.09590   110.35579    56.38020
  101    92 S   CT   _C4_    81     1.52538   113.86322   -64.31608
  102   101 S   HC   _H11    82     1.09447   111.27585   -62.31314
  103   101 S   HC   _H12    83     1.09482   109.93012   178.49715
  104   101 S   HC   _H13    84     1.09337   111.72134    58.79445
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  18   2   1   1  14   5   8   3   2   1   9   4  15   6  21   4
   1  15   6   8   3   2   1  10   5   4  16   6  19  13   5   4
  21   9   9  13   6  11   5   2   8   8   2  11   6   1  12   4
   3   1   7   5  13   2   1   9   4   3   2   8   6   5   2   1
   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    50    51    56    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    50    51    56    57    58    59    74    52    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    50    51    56    48    39    40    41    42  
   43    44    45    50    39  
   40    41    42    43    47    50    51    56  
   41    42    50  
   42    50  
   50  
   44    45    46    47    50    74    52    48    49  
   45    46    47    48  
   46    47    50    51    56    61    70    74    75    52    53    54    55    48    49  
   47    50    74    52    48    49  
   50    51    56    57    58    59    61    62    67    70    74    75    76    65    81    52    53    54    55    48    49  
   49    50    52    74  
    0  
   51    56    57    58    59    60    61    70    74    75    78    52    53    54    55  
   56    57    58    59    74    52  
   53    54    55    56    61    70    74    75  
   54    55    74  
   55    74  
   74  
   57    58    59    60    61    62    74    65    71    78  
   58    59    60    61    78  
   59    60    61    78  
   60    61    62    63    64    67    70    74    75    83    65    66    68    71    72    78  
   61    62    74    65    71    78  
   62    63    64    67    70    74    75    76    83    84    65    66    68    69    71    78    73    97    81  
   63    64    67    70    74    75    76    83    65    66    68    78    81  
   64    67    70    74    65  
   67    70    74    65  
   66    68    69    71    72    78    73    79    97    98    99   100    86    67    70    74    75    76    77    83    84  
   68    69    71    73    97    74    76    83    84  
   70    74    75    76    77    83    86    81    82  
   69    71    72    78    73    79    80    85    97    74    76    83    84  
   71    72    78    73    79    83  
   74    75    76    77    83    84    97    86    87    81    82  
   72    78    73    79    83  
   78    73  
   79    80    85    88    92    95    78    83  
   75    76    77    83    78    86    81    82  
   76    81  
   77    83    84    97    98    99   100    86    87    81    82  
   83    84    97    86    87    81  
    0  
   80    85    88    89    90    91    92    93    94   101    95    96  
   85    88    92    95  
   82    83    86  
    0  
   84    97    98    99   100    86    87  
   97    98    99   100    86  
   88    89    90    91    92    93    94   101   102   103   104    95    96  
   87    97  
    0  
   89    90    91    92    93    94   101    95    96  
   90    91    92    95  
   91    92    95  
   92    95  
   93    94   101   102   103   104    95    96  
   94   101   102   103   104    95  
  101   102   103   104    95  
   96   101  
    0  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104  
  103   104  
  104  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   270.000  1.512
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    50   268.000  1.529
   47    74   268.000  1.529
   47    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    78   320.000  1.410
   61    62   268.000  1.529
   61    74   268.000  1.529
   61    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   320.000  1.410
   67    70   320.000  1.380
   70    74   250.000  1.527
   70    76   250.000  1.527
   70    81   380.000  1.407
   74    75   340.000  1.090
   76    77   340.000  1.090
   76    83   268.000  1.529
   76    86   320.000  1.410
   83    84   340.000  1.090
   83    65   268.000  1.529
   83    97   268.000  1.529
   65    66   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    71   317.000  1.522
   68    73   320.000  1.410
   71    72   570.000  1.229
   71    78   214.000  1.327
   73    79   214.000  1.327
   79    80   570.000  1.229
   79    85   317.000  1.522
   85    88   268.000  1.529
   85    92   268.000  1.529
   85    95   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   95    96   553.000  0.945
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   86    87   553.000  0.945
   81    82   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    45    46    45.00000  110.52000
   43    45    47    70.00000  112.02700
   43    45    48    90.00000  110.39200
   45    43    44    85.00000  112.85300
   45    47    50    58.35000  112.70000
   45    47    74    58.35000  112.70000
   45    47    52    58.35000  112.70000
   45    48    49    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    56    58.35000  112.70000
   47    74    61    58.35000  112.70000
   47    74    70    75.00000  109.43000
   47    74    75    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   50    33    37    70.00000  112.02700
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    58.35000  112.70000
   56    50    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    78    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    58.35000  112.70000
   59    61    74    58.35000  112.70000
   59    61    65    58.35000  112.70000
   59    78    71    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    67    50.00000  109.50000
   61    74    70    75.00000  109.43000
   61    74    75    37.50000  110.70000
   61    65    83    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    68    58.35000  112.70000
   62    67    70    60.00000  109.50000
   64    62    63    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    70    74    90.00000  108.56700
   67    70    76    90.00000  108.56700
   67    70    81   110.00000  112.08000
   70    74    75    45.00000  108.72000
   70    76    77    45.00000  108.72000
   70    76    83    75.00000  109.43000
   70    76    86    90.00000  111.58700
   70    81    82    70.00000  107.92000
   74    47    50    58.35000  112.70000
   74    61    62    58.35000  112.70000
   76    70    74    65.00000  112.71400
   76    83    84    37.50000  110.70000
   76    83    65    58.35000  112.70000
   76    83    97    58.35000  112.70000
   76    86    87    55.00000  108.50000
   83    76    77    37.50000  110.70000
   83    65    66    37.50000  110.70000
   83    65    68    58.35000  112.70000
   83    97    98    37.50000  110.70000
   83    97    99    37.50000  110.70000
   83    97   100    37.50000  110.70000
   65    61    62    58.35000  112.70000
   65    61    74    58.35000  112.70000
   65    83    84    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    71    63.00000  111.10000
   65    68    73    50.00000  109.50000
   68    65    66    37.50000  110.70000
   68    71    72    80.00000  120.40000
   68    71    78    81.00000  111.40000
   68    73    79    83.00000  116.90000
   71    68    69    35.00000  109.50000
   78    59    60    35.00000  109.50000
   78    59    61    50.00000  109.50000
   78    71    72    83.00000  123.40000
   73    68    69    35.00000  109.50000
   73    68    71    90.00000  108.74100
   73    79    80    83.00000  123.40000
   73    79    85    81.00000  111.40000
   79    85    88    63.00000  111.10000
   79    85    92    63.00000  111.10000
   79    85    95    90.00000  109.61100
   85    79    80    80.00000  120.40000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    37.50000  110.70000
   85    92    93    37.50000  110.70000
   85    92    94    37.50000  110.70000
   85    92   101    58.35000  112.70000
   85    95    96    55.00000  108.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    85    88    58.35000  112.70000
   92   101   102    37.50000  110.70000
   92   101   103    37.50000  110.70000
   92   101   104    37.50000  110.70000
   94    92    93    33.00000  107.80000
  101    92    93    37.50000  110.70000
  101    92    94    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   95    85    88    50.00000  109.50000
   95    85    92    50.00000  109.50000
   97    83    84    37.50000  110.70000
   97    83    65    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   86    76    77    35.00000  109.50000
   86    76    83    50.00000  109.50000
   81    70    74    90.00000  110.19100
   81    70    76    90.00000  110.19100
   52    47    50    58.35000  112.70000
   52    47    74    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
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   73    79    85    95   0.30750  1.0 1.0
   73    79    85    95   1.13850 -1.0 2.0
   73    79    85    95   0.38850  1.0 3.0
   79    85    88    89  -0.11250  1.0 3.0
   79    85    88    90  -0.11250  1.0 3.0
   79    85    88    91  -0.11250  1.0 3.0
   79    85    92    93  -0.11250  1.0 3.0
   79    85    92    94  -0.11250  1.0 3.0
   79    85    92   101  -0.95700  1.0 1.0
   79    85    92   101  -0.18200 -1.0 2.0
   79    85    92   101   0.29450  1.0 3.0
   79    85    95    96   0.91850  1.0 1.0
   79    85    95    96   0.57950  1.0 3.0
   80    79    85    88   0.30150 -1.0 2.0
   80    79    85    92   0.30150 -1.0 2.0
   80    79    85    95   0.30150 -1.0 2.0
   85    92   101   102   0.15000  1.0 3.0
   85    92   101   103   0.15000  1.0 3.0
   85    92   101   104   0.15000  1.0 3.0
   88    85    92    93   0.15000  1.0 3.0
   88    85    92    94   0.15000  1.0 3.0
   88    85    92   101   0.56750  1.0 1.0
   88    85    92   101  -0.07550 -1.0 2.0
   88    85    92   101   0.20000  1.0 3.0
   88    85    95    96  -0.11600  1.0 1.0
   88    85    95    96  -0.09450 -1.0 2.0
   88    85    95    96   0.21250  1.0 3.0
   92    85    88    89   0.15000  1.0 3.0
   92    85    88    90   0.15000  1.0 3.0
   92    85    88    91   0.15000  1.0 3.0
   92    85    95    96  -0.11600  1.0 1.0
   92    85    95    96  -0.09450 -1.0 2.0
   92    85    95    96   0.21250  1.0 3.0
   93    92   101   102   0.15000  1.0 3.0
   93    92   101   103   0.15000  1.0 3.0
   93    92   101   104   0.15000  1.0 3.0
   94    92   101   102   0.15000  1.0 3.0
   94    92   101   103   0.15000  1.0 3.0
   94    92   101   104   0.15000  1.0 3.0
   95    85    88    89   0.23400  1.0 3.0
   95    85    88    90   0.23400  1.0 3.0
   95    85    88    91   0.23400  1.0 3.0
   95    85    92    93   0.23400  1.0 3.0
   95    85    92    94   0.23400  1.0 3.0
   95    85    92   101   0.86500  1.0 1.0
   95    85    92   101  -0.17500 -1.0 2.0
   95    85    92   101   0.20800  1.0 3.0
   97    83    65    61   0.56750  1.0 1.0
   97    83    65    61  -0.07550 -1.0 2.0
   97    83    65    61   0.20000  1.0 3.0
   97    83    65    66   0.15000  1.0 3.0
   97    83    65    68   0.56750  1.0 1.0
   97    83    65    68  -0.07550 -1.0 2.0
   97    83    65    68   0.20000  1.0 3.0
   86    76    83    84   0.23400  1.0 3.0
   86    76    83    65   0.86500  1.0 1.0
   86    76    83    65  -0.17500 -1.0 2.0
   86    76    83    65   0.20800  1.0 3.0
   86    76    83    97   0.86500  1.0 1.0
   86    76    83    97  -0.17500 -1.0 2.0
   86    76    83    97   0.20800  1.0 3.0
   81    70    74    47   0.86500  1.0 1.0
   81    70    74    47  -0.17500 -1.0 2.0
   81    70    74    47   0.20800  1.0 3.0
   81    70    74    61   0.86500  1.0 1.0
   81    70    74    61  -0.17500 -1.0 2.0
   81    70    74    61   0.20800  1.0 3.0
   81    70    74    75   0.23400  1.0 3.0
   81    70    76    77   0.23400  1.0 3.0
   81    70    76    83   0.86500  1.0 1.0
   81    70    76    83  -0.17500 -1.0 2.0
   81    70    76    83   0.20800  1.0 3.0
   81    70    76    86   3.75450  1.0 1.0
   52    47    50    33   0.56750  1.0 1.0
   52    47    50    33  -0.07550 -1.0 2.0
   52    47    50    33   0.20000  1.0 3.0
   52    47    50    51   0.15000  1.0 3.0
   52    47    50    56   0.56750  1.0 1.0
   52    47    50    56  -0.07550 -1.0 2.0
   52    47    50    56   0.20000  1.0 3.0
   52    47    74    61   0.56750  1.0 1.0
   52    47    74    61  -0.07550 -1.0 2.0
   52    47    74    61   0.20000  1.0 3.0
   52    47    74    70   3.97050  1.0 1.0
   52    47    74    75   0.15000  1.0 3.0
   48    45    47    50   0.86500  1.0 1.0
   48    45    47    50  -0.17500 -1.0 2.0
   48    45    47    50   0.20800  1.0 3.0
   48    45    47    74   0.86500  1.0 1.0
   48    45    47    74  -0.17500 -1.0 2.0
   48    45    47    74   0.20800  1.0 3.0
   48    45    47    52   0.86500  1.0 1.0
   48    45    47    52  -0.17500 -1.0 2.0
   48    45    47    52   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    56   0.56750  1.0 1.0
   39    33    50    56  -0.07550 -1.0 2.0
   39    33    50    56   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    43   1.10000 -1.0 2.0
   45    44    43    37   1.10000 -1.0 2.0
   68    78    71    72  10.50000 -1.0 2.0
   73    85    79    80  10.50000 -1.0 2.0
END
