* LIGAND DATABASE FILE (OPLS2005)
*
001     104   109    206    337     606
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02040   104.85904   -32.62447
    3     1 S   H    _H1_     3     1.02043    67.31755    71.80898
    4     1 S   H    _H2_     4     1.02132    45.52786  -134.40025
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08638   110.54412    58.87164
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C30    36     1.81954    98.24340  -158.15104
   34    33 S   HC   _H3_    37     1.08772   107.57676    42.81086
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C10    38     1.50246   109.73403   -80.02754
   39    38 S   HC   _H42    39     1.09211   115.34091   -90.14623
   40    33 S   CT   _C22    47     1.54761   109.08070   159.02531
   41    38 S   CMA  _C11    40     1.35622   126.66791    89.81686
   42    41 S   OM   _O28    41     1.26825   125.58806  -180.00000
   43    40 S   CT   _C16    48     1.55474   109.31937   -56.40154
   44    43 S   HC   _H49    49     1.09462   103.26565   -37.01142
   45    40 S   CT   _C28   101     1.54447   104.55327    65.87959
   46    45 S   HC   _H62   102     1.08315   108.97330    60.74018
   47    45 S   HC   _H63   103     1.08261   108.93290   -59.24674
   48    45 S   HC   _H64   104     1.08289   108.95226  -179.23792
   49    41 S   OS   _O39    42     1.42383   109.22376     0.44323
   50    43 S   CT   _C12    50     1.52601   120.23663    80.14599
   51    50 S   HC   _H43    51     1.09550   111.86276    48.38455
   52    50 S   HC   _H44    52     1.09711   109.02894   -68.61015
   53    43 S   CT   _C20    73     1.55198   107.55189  -149.09913
   54    49 S   CT   _C29    43     1.42745   115.84836   180.00000
   55    54 S   HC   _H65    44     1.09336   109.47531   179.98022
   56    54 S   HC   _H66    45     1.09247   109.52504    59.25642
   57    54 S   HC   _H67    46     1.09270   108.99439   -60.42345
   58    50 S   CT   _C13    53     1.54508   112.17325   170.30249
   59    58 S   HC   _H45    54     1.09737   108.32525   142.71468
   60    58 S   HC   _H46    55     1.09859   108.05864  -103.32808
   61    53 S   CO   _C23    74     1.54984    99.82400    42.00318
   62    53 S   CT   _C27    92     1.55542   113.20661   -75.03577
   63    62 S   HC   _H59    93     1.08015   108.43916  -179.96574
   64    62 S   HC   _H60    94     1.07921   108.44915    59.96869
   65    62 S   HC   _H61    95     1.07947   108.40391   -59.99176
   66    58 S   CT   _C19    56     1.55516   115.17624    18.33760
   67    40 S   CT   _C17    75     1.57961   113.72335  -169.86952
   68    61 S   OH   _O38    90     1.42063   113.63129  -160.35666
   69    68 S   HO   _H70    91     0.97133   106.83959   -61.41726
   70    66 S   CT   _C14    57     1.57051   111.45017  -172.46480
   71    70 S   HC   _H47    58     1.09722   111.15526    61.20678
   72    67 S   CO4  _C8_    76     1.51166   115.27867    11.06157
   73    72 S   O    _O29    77     1.22533   124.08960   -79.69746
   74    67 S   OH   _O37    88     1.41068   113.10697  -114.99648
   75    74 S   HO   _H69    89     0.97389   107.41666    69.44550
   76    66 S   CT   _C26    97     1.55696   111.08407    66.63290
   77    76 S   HC   _H56    98     1.07929   108.31895  -179.98022
   78    76 S   HC   _H57    99     1.07910   108.32658    60.05207
   79    76 S   HC   _H58   100     1.07870   108.34485   -59.94939
   80    70 S   C5BC _C7_    59     1.48481   114.11908   -58.19358
   81    70 S   OS   _O34    67     1.46352   109.41613   179.04920
   82    72 S   CT   _C18    78     1.51181   111.93945   102.12331
   83    80 S   C5BC _C4_    60     1.41553   126.99260   -87.57298
   84    83 S   HA   _H39    61     1.08110   127.77161     0.05595
   85    81 S   CO4  _C9_    68     1.37056   122.49343   -43.74717
   86    85 S   O    _O30    69     1.22427   122.34367  -177.34915
   87    61 S   OS   _O36    79     1.44107   109.72358    74.48136
   88    82 S   CT   _C24    80     1.52458   110.73636   110.80586
   89    88 S   HC   _H50    81     1.08897   109.93152  -179.93744
   90    88 S   HC   _H51    82     1.08968   109.95958    60.00015
   91    88 S   HC   _H52    83     1.09021   109.89000   -59.96255
   92    82 S   CT   _C25    84     1.51936   113.08578  -123.35467
   93    92 S   HC   _H53    85     1.09143   110.13758   179.98022
   94    92 S   HC   _H54    86     1.09146   110.20301    59.97457
   95    92 S   HC   _H55    87     1.09119   110.21369   -60.02009
   96    83 S   C5A  _C5_    62     1.37465   106.12641  -179.98022
   97    96 S   HA   _H40    63     1.08067   133.79867  -180.00000
   98    85 S   C3T  _C15    70     1.48295   117.22636     3.21217
   99    98 S   HC   _H48    71     1.08201   115.60807   171.85517
  100    96 S   OA   _O33    64     1.35818   110.58164     0.03426
  101    66 S   C3T  _C21    72     1.55653   108.04232   -55.52400
  102    80 S   C5A  _C6_    65     1.37514   126.91409    92.48926
  103   102 S   HA   _H41    66     1.08135   133.86921    -0.02798
  104    98 S   O3T  _O35    96     1.41716   112.54285   -49.00806
  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   9   5   4   3
  19   7   2   1   1   9   4  23   6   2  26  10   9   3   2   1
   4  13   6   5  21   3   2   1   1  14   5   4  19  10   3   2
   1  15  11   6   1  18   7  13   5   3   1   8   3   2   1  10
   8   9   6   4   5   4   9   7   3   2   1   3   2   1   1   4
   2   3   2   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    67    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    40    43    44    50    53    61    67    72    74    45    46    47    48  
   38    39    41    40    43    67    45  
   36    37  
   37  
    0  
   39    41    42    49    54    40    43    67    45  
   41    42    49    40  
   43    44    50    51    52    58   101    53    61    67    72    73    82    87    74    75    68    62    45    46    47    48    41  
   42    49    54    55    56    57  
   49    54  
   44    50    51    52    58    59    60    66    98   101    53    61    67    72    87    74    68    62    63    64    65   104    45    46    47    48  
   50    51    52    58   101    53    61    67    62    45  
   46    47    48    50    53    61    67    72    74  
   47    48    67  
   48    67  
   67  
   54    55    56    57  
   51    52    58    59    60    66    70   101    53    61    67    62    76  
   52    58    59    60    66    53  
   58    59    60    66    53  
   61    67    72    82    87    74    68    69    62    63    64    65   104    76    58    66    70    85    98    99   101  
   55    56    57  
   56    57  
   57  
    0  
   59    60    66    70    71    80    81    98   101   104    76    77    78    79  
   60    66    70   101    76  
   66    70   101    76  
   67    72    73    82    87    88    92    74    75    68    69    62    63    64    65   104    66    98   101  
   63    64    65   104    66    67    68    87    98   101  
   64    65   101  
   65   101  
  101  
   70    71    80    83   102    81    85    98    99   101   104    76    77    78    79  
   72    73    82    87    88    92    74    75    68    69   101  
   69    72    74    82    87   101  
   87  
   71    80    83    84    96   100   102   103    81    85    86    98   101   104    76    77    78    79  
   80    83   102    81    85   101    76  
   73    82    87    88    89    90    91    92    93    94    95    74    75  
   82    87    88    92    74  
   75    82    87  
    0  
   77    78    79    80    81    98   101   104  
   78    79   101  
   79   101  
  101  
   83    84    96    97   100   102   103    81    85   101  
   85    86    98    99   101   104    83   102  
   87    88    89    90    91    92    93    94    95  
   84    96    97   100   102   103  
   96    97   100   102  
   86    98    99   101   104  
   98    99   101   104  
   88    89    90    91    92    93    94    95   101  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95  
   94    95  
   95  
    0  
   97   100   102   103  
  100   102  
   99   101   104  
  101   104  
  102   103  
  104  
  103  
    0  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   98   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
  101   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
  102   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  103   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  104   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    49   440.000  1.360
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   40    43   268.000  1.529
   40    67   268.000  1.529
   40    45   268.000  1.529
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    70   268.000  1.529
   66   101   275.000  1.510
   66    76   268.000  1.529
   70    71   340.000  1.090
   70    80   285.000  1.502
   70    81   320.000  1.410
   80    83   469.000  1.424
   80   102   546.000  1.367
   83    84   367.000  1.080
   83    96   546.000  1.367
   96    97   367.000  1.080
   96   100   340.000  1.360
  100   102   340.000  1.360
  102   103   367.000  1.080
   81    85   214.000  1.327
   85    86   570.000  1.229
   85    98   290.000  1.496
   98    99   340.000  1.088
   98   101   260.000  1.509
   98   104   335.000  1.432
  101    53   275.000  1.510
  101   104   335.000  1.432
   53    61   250.000  1.527
   53    62   268.000  1.529
   61    67   250.000  1.527
   61    87   320.000  1.380
   61    68   380.000  1.407
   67    72   317.000  1.522
   67    74   320.000  1.410
   72    73   570.000  1.229
   72    82   317.000  1.522
   82    87   320.000  1.410
   82    88   268.000  1.529
   82    92   268.000  1.529
   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    95   340.000  1.090
   74    75   553.000  0.945
   68    69   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    58.35000  112.70000
   33    40    67    58.35000  112.70000
   33    40    45    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    49    80.00000  120.01400
   41    38    39    40.00000  120.50800
   41    49    54    90.00000  111.18400
   49    41    42    65.00000  121.00000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    44    37.50000  110.70000
   40    43    50    58.35000  112.70000
   40    43    53    58.35000  112.70000
   40    67    61    75.00000  109.43000
   40    67    72    63.00000  111.10000
   40    67    74    50.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    58    58.35000  112.70000
   43    53   101    70.00000  112.37300
   43    53    61    75.00000  109.43000
   43    53    62    58.35000  112.70000
   50    43    44    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    66    58.35000  112.70000
   52    50    51    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    52    37.50000  110.70000
   58    66    70    58.35000  112.70000
   58    66   101    70.00000  112.37300
   58    66    76    58.35000  112.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    80    70.00000  112.17500
   66    70    81    50.00000  109.50000
   66   101    98    60.00000  120.94000
   66   101    53    58.35000  112.70000
   66   101   104    80.00000  116.47100
   66    76    77    37.50000  110.70000
   66    76    78    37.50000  110.70000
   66    76    79    37.50000  110.70000
   70    80    83    60.00000  130.00000
   70    80   102    60.00000  130.00000
   70    81    85    83.00000  116.90000
   80    70    71    35.00000  109.50000
   80    83    84    35.00000  127.50000
   80    83    96    70.00000  107.30000
   80   102   100    70.00000  110.60000
   80   102   103    35.00000  132.10000
   83    96    97    35.00000  132.10000
   83    96   100    70.00000  110.60000
   96    83    84    35.00000  125.70000
   96   100   102    70.00000  106.50000
  100    96    97    35.00000  113.40000
  100   102   103    35.00000  113.40000
  102    80    83    70.00000  107.30000
   81    70    71    35.00000  109.50000
   81    70    80    85.00000  111.85700
   81    85    86    83.00000  123.40000
   81    85    98    81.00000  111.40000
   85    98    99    40.00000  116.18000
   85    98   101    65.00000  117.18000
   85    98   104    80.00000  114.91000
   98    85    86    75.00000  121.36600
   98   101    53    60.00000  120.94000
   98   101   104    15.00000   60.43100
   98   104   101    15.00000   59.14900
  101    66    70    70.00000  112.37300
  101    98    99    37.50000  117.20000
  101    53    61    70.00000  112.37300
  101    53    62    70.00000  112.37300
   53    43    44    37.50000  110.70000
   53    43    50    58.35000  112.70000
   53    61    67    65.00000  112.71400
   53    61    87    90.00000  108.56700
   53    61    68    90.00000  110.19100
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    65    37.50000  110.70000
   61    67    72    63.00000  111.10000
   61    67    74    90.00000  111.58700
   61    87    82    60.00000  109.50000
   61    68    69    70.00000  107.92000
   67    40    43    58.35000  112.70000
   67    72    73    80.00000  120.40000
   67    72    82    70.00000  116.00000
   67    74    75    55.00000  108.50000
   72    82    87    90.00000  108.74100
   72    82    88    63.00000  111.10000
   72    82    92    63.00000  111.10000
   82    72    73    80.00000  120.40000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    91    37.50000  110.70000
   82    92    93    37.50000  110.70000
   82    92    94    37.50000  110.70000
   82    92    95    37.50000  110.70000
   87    61    67    90.00000  108.56700
   88    82    87    50.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    82    87    50.00000  109.50000
   92    82    88    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   74    67    72    90.00000  109.61100
   68    61    67    90.00000  110.19100
   68    61    87   110.00000  112.08000
   62    53    61    75.00000  109.43000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
  104    98    99    50.00000  114.27700
  104    98   101    15.00000   60.43100
  104   101    53    80.00000  116.47100
   76    66    70    58.35000  112.70000
   76    66   101    70.00000  112.37300
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   45    40    43    58.35000  112.70000
   45    40    67    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
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   72    82    88    91  -0.11250  1.0 3.0
   72    82    92    93  -0.11250  1.0 3.0
   72    82    92    94  -0.11250  1.0 3.0
   72    82    92    95  -0.11250  1.0 3.0
   73    72    82    87   0.30150 -1.0 2.0
   73    72    82    88   0.30150 -1.0 2.0
   73    72    82    92   0.30150 -1.0 2.0
   87    61    67    40   0.62750  1.0 1.0
   87    61    67    40  -0.30950 -1.0 2.0
   87    61    67    40   0.27300  1.0 3.0
   87    61   -67    72  -0.09450  1.0 1.0
   87    61   -67    72  -1.12950 -1.0 2.0
   87    61   -67    72   0.54000  1.0 3.0
   87    61    67    74   3.69350  1.0 1.0
   87    61    67    74  -1.82950 -1.0 2.0
   87    61    68    69  -0.50000  1.0 1.0
   87    61    68    69  -0.73950 -1.0 2.0
   87    61    68    69   0.17150  1.0 3.0
   87    82    88    89   0.23400  1.0 3.0
   87    82    88    90   0.23400  1.0 3.0
   87    82    88    91   0.23400  1.0 3.0
   87    82    92    93   0.23400  1.0 3.0
   87    82    92    94   0.23400  1.0 3.0
   87    82    92    95   0.23400  1.0 3.0
   88    82    87    61   0.06250  1.0 1.0
   88    82    87    61  -0.01100 -1.0 2.0
   88    82    87    61   0.28050  1.0 3.0
   88    82    92    93   0.15000  1.0 3.0
   88    82    92    94   0.15000  1.0 3.0
   88    82    92    95   0.15000  1.0 3.0
   92    82    87    61   0.06250  1.0 1.0
   92    82    87    61  -0.01100 -1.0 2.0
   92    82    87    61   0.28050  1.0 3.0
   92    82    88    89   0.15000  1.0 3.0
   92    82    88    90   0.15000  1.0 3.0
   92    82    88    91   0.15000  1.0 3.0
   74    67    72    73   0.30150 -1.0 2.0
   74    67    72    82   0.55300  1.0 1.0
   74    67    72    82   1.25850 -1.0 2.0
   74    67    72    82  -0.23600  1.0 3.0
   68    61    67    40   0.86500  1.0 1.0
   68    61    67    40  -0.17500 -1.0 2.0
   68    61    67    40   0.20800  1.0 3.0
   68    61    67    72  -0.09450  1.0 1.0
   68    61    67    72  -1.12950 -1.0 2.0
   68    61    67    72   0.54000  1.0 3.0
   68    61    67    74   3.75450  1.0 1.0
   68    61    87    82  -0.70900  1.0 1.0
   68    61    87    82  -1.18000 -1.0 2.0
   68    61    87    82   0.91650  1.0 3.0
   62    53    61    67   0.56750  1.0 1.0
   62    53    61    67  -0.07550 -1.0 2.0
   62    53    61    67   0.20000  1.0 3.0
   62    53    61    87   0.62750  1.0 1.0
   62    53    61    87  -0.30950 -1.0 2.0
   62    53    61    87   0.27300  1.0 3.0
   62    53    61    68   0.86500  1.0 1.0
   62    53    61    68  -0.17500 -1.0 2.0
   62    53    61    68   0.20800  1.0 3.0
  104    98  -101    66   0.02550  1.0 1.0
  104    98  -101    66  -0.02600 -1.0 2.0
  104    98  -101    66   1.20400  1.0 3.0
  104    98  -101    53   0.02550  1.0 1.0
  104    98  -101    53  -0.02600 -1.0 2.0
  104    98  -101    53   1.20400  1.0 3.0
  104   101    53    43   0.02550  1.0 1.0
  104   101    53    43  -0.02600 -1.0 2.0
  104   101    53    43   1.20400  1.0 3.0
  104   101    53    61   0.02550  1.0 1.0
  104   101    53    61  -0.02600 -1.0 2.0
  104   101    53    61   1.20400  1.0 3.0
  104   101    53    62   0.02550  1.0 1.0
  104   101    53    62  -0.02600 -1.0 2.0
  104   101    53    62   1.20400  1.0 3.0
   76    66    70    71   0.15000  1.0 3.0
   76    66    70    80  -0.03700  1.0 1.0
   76    66    70    80   0.37200 -1.0 2.0
   76    66    70    80  -0.47300  1.0 3.0
   76    66    70    81   0.62750  1.0 1.0
   76    66    70    81  -0.30950 -1.0 2.0
   76    66    70    81   0.27300  1.0 3.0
   76    66   101    98   0.07850  1.0 1.0
   76    66   101    98  -0.03950 -1.0 2.0
   76    66   101    98   0.67350  1.0 3.0
   76    66   101    53   0.56750  1.0 1.0
   76    66   101    53  -0.07550 -1.0 2.0
   76    66   101    53   0.20000  1.0 3.0
   76    66   101   104   0.02550  1.0 1.0
   76    66   101   104  -0.02600 -1.0 2.0
   76    66   101   104   1.20400  1.0 3.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    50   0.56750  1.0 1.0
   45    40    43    50  -0.07550 -1.0 2.0
   45    40    43    50   0.20000  1.0 3.0
   45    40    43    53   0.56750  1.0 1.0
   45    40    43    53  -0.07550 -1.0 2.0
   45    40    43    53   0.20000  1.0 3.0
   45    40    67    61   3.97050  1.0 1.0
   45    40    67    72  -0.95700  1.0 1.0
   45    40    67    72  -0.18200 -1.0 2.0
   45    40    67    72   0.29450  1.0 3.0
   45    40    67    74   0.86500  1.0 1.0
   45    40    67    74  -0.17500 -1.0 2.0
   45    40    67    74   0.20800  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   42    49    41    38  15.00000 -1.0 2.0
   83   102    80    70   4.00000 -1.0 2.0
   96    84    83    80   1.10000 -1.0 2.0
  100    97    96    83   1.10000 -1.0 2.0
  100   103   102    80   1.10000 -1.0 2.0
   81    98    85    86  10.50000 -1.0 2.0
   67    82    72    73  10.50000 -1.0 2.0
END
