* LIGAND DATABASE FILE (OPLS2005)
*
001     106   111    203    338     610
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02137    83.77022   -78.62092
    3     1 S   H    _H1_     3     1.02071    96.06827    29.58487
    4     1 S   H    _H2_     4     1.02076    34.26577   144.29997
    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     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   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   _C31    36     1.87554    96.45135   161.87626
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C19    37     1.54185   101.85984    59.96541
   38    37 S   O    _O38    38     1.22951   122.55486   -80.05661
   39    33 S   CT   _C30    95     1.57128   109.05528   -61.79382
   40    39 S   HC   _H60    96     1.09738   111.31458    14.17429
   41    37 S   CA   _C13    39     1.48970   118.92948    93.85722
   42    39 S   CT   _C33    97     1.53122   115.36660   136.53320
   43    42 S   HC   _H64    98     1.08629   109.59186    55.44706
   44    42 S   HC   _H65    99     1.08679   109.60949   -64.60994
   45    42 S   HC   _H66   100     1.08759   109.55950   175.40961
   46    41 S   CA   _C11    40     1.39706   121.50939    -1.96224
   47    46 S   CA   _C7_    41     1.40029   120.35002  -176.22758
   48    47 S   HA   _H49    42     1.08697   121.20852  -179.80923
   49    46 S   CO4  _C17    85     1.47572   120.40840     4.92728
   50    49 S   O    _O36    86     1.22573   120.51552  -163.46684
   51    47 S   CA   _C5_    43     1.39323   119.91151    -0.66735
   52    51 S   HA   _H47    44     1.08721   119.02564  -179.64392
   53    33 S   CT   _C25    87     1.53877   111.34240   178.42058
   54    53 S   HC   _H55    88     1.10246   107.62102  -178.77635
   55    51 S   CA   _C9_    45     1.39315   120.03547     0.06853
   56    53 S   CT   _C23    89     1.53618   112.84516    64.33996
   57    56 S   HC   _H52    90     1.09898   107.76245   157.65613
   58    56 S   HC   _H53    91     1.09706   112.23967   -87.27193
   59    55 S   CA   _C8_    46     1.45058   118.75512  -179.77100
   60    41 S   CA   _C15    82     1.40084   119.09512  -178.98105
   61    56 S   CT   _C28    92     1.53066   111.94907    35.95307
   62    61 S   HC   _H58    93     1.09472   111.19253   -96.73465
   63    59 S   CA   _C4_    47     1.39342   118.70358    89.99037
   64    63 S   HA   _H46    48     1.08686   120.97229     0.18023
   65    60 S   OH   _O44    83     1.36692   121.79119    -3.61704
   66    65 S   HO   _H72    84     0.96770   109.96331     0.36369
   67    61 S   OS   _O42    94     1.42255   109.54451    23.58405
   68    61 S   CT   _C35   101     1.52317   111.39693   143.27819
   69    68 S   HC   _H69   102     1.09459   108.64547    60.51366
   70    68 S   HC   _H70   103     1.09427   108.68840   -56.34921
   71    63 S   CA   _C6_    49     1.39537   120.07734   179.80820
   72    71 S   HA   _H48    50     1.08641   118.69873  -179.28290
   73    68 S   CO3  _C21   104     1.52860   115.11536  -177.96481
   74    73 S   O2Z  _O34   105     1.26479   113.79974   148.15556
   75    73 S   O2Z  _O40   106     1.26139   116.88588   -31.70075
   76    71 S   CA   _C10    51     1.40008   119.93551     0.06561
   77    76 S   CA   _C12    52     1.39922   120.05521     0.57675
   78    59 S   CA   _C14    53     1.39500   121.11021   -89.76625
   79    77 S   CO4  _C18    56     1.48322   121.02623   177.19035
   80    79 S   O    _O37    57     1.22716   119.89955   177.73652
   81    78 S   OH   _O43    54     1.36592   118.23572     0.37949
   82    81 S   HO   _H71    55     0.96895   110.03002   179.97202
   83    79 S   CT   _C26    58     1.52043   117.15934    -6.95144
   84    83 S   HC   _H56    59     1.10229   105.04046   -80.13323
   85    83 S   CT   _C24    60     1.52789   111.85804    36.50467
   86    85 S   HC   _H54    61     1.09811   110.77236    62.93509
   87    76 S   CO4  _C16    62     1.48154   119.16793  -178.18081
   88    87 S   O    _O35    63     1.22611   120.28758   -13.41964
   89    85 S   CT   _C22    64     1.53264   109.18845  -177.18103
   90    89 S   HC   _H50    65     1.09895   108.86378    67.62067
   91    89 S   HC   _H51    66     1.09629   110.41278  -175.51083
   92    89 S   CT   _C27    67     1.52968   111.12176   -53.08661
   93    92 S   HC   _H57    68     1.09556   110.17264   -67.28298
   94    92 S   OS   _O41    69     1.43119   111.10355    53.97288
   95    92 S   CT   _C34    76     1.52383   110.88560   173.43254
   96    95 S   HC   _H67    77     1.09409   108.62910    59.09826
   97    95 S   HC   _H68    78     1.09441   108.62462   -57.70741
   98    83 S   CT   _C29    70     1.53972   113.81264   163.40443
   99    98 S   HC   _H59    71     1.09723   108.23722    61.87065
  100    95 S   CO3  _C20    79     1.52769   115.14775  -179.34389
  101   100 S   O2Z  _O33    80     1.26533   113.79514   148.19704
  102   100 S   O2Z  _O39    81     1.26131   116.86191   -31.74361
  103    98 S   CT   _C32    72     1.53107   115.57814   -57.77995
  104   103 S   HC   _H61    73     1.08797   109.60797   -59.51395
  105   103 S   HC   _H62    74     1.08686   109.64824  -179.48262
  106   103 S   HC   _H63    75     1.08733   109.61317    60.43144
  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
  20   2   1   1  15   5  14   7  12   6   3   2   1  12   9   4
   9   3   7   3   8   4  10   9   5   4  12   4   8   5   8   4
   1   1   4   5   4   3   8   3   2   1   1  11  11   6  12   4
   1   1  16   8  13   7   6   1  10   5   4  11   6  10   6   4
   3   5   4   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    53    54    56    67    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    46    60    49    50    53    54    56    57    58    61    67    39    40    42    43    44    45  
   35    36  
   36  
    0  
   38    41    46    47    55    60    65    49    53    54    56    67    39    40    42  
   41    46    60    53    39  
   40    42    43    44    45    68    41    49    53    54    56    61    62    67  
   42    43    44    45    53    61    67  
   46    47    48    51    55    59    60    65    66    49    50    53  
   43    44    45    53    61    67  
   44    45    67  
   45    67  
   67  
   47    48    51    52    55    60    65    49    50    53    54    56  
   48    51    52    55    59    60    49    50    53  
   51    52    55    49  
   50    53    54    56    57    58    61    51    60  
   53    54    56  
   52    55    59    63    78    60    65  
   55    59    60  
   54    56    57    58    61    62    67    68  
   56    57    58    61  
   59    63    64    71    77    78    81    60    65    66  
   57    58    61    62    67    68    69    70    73  
   58    61    62    67    68  
   61    62    67    68  
   63    64    71    72    76    77    78    81    82    79    60    65  
   65    66    63    78  
   62    67    68    69    70    73    74    75  
   67    68    69    70    73  
   64    71    72    76    77    78    81    87  
   71    72    76    78  
   66  
    0  
   68    69    70    73  
   69    70    73    74    75  
   70    73    74    75  
   73    74    75  
   72    76    77    78    79    85    87    88  
   76    77    87  
   74    75  
   75  
    0  
   77    78    81    79    80    83    85    86    87    88    89  
   78    81    82    79    80    83    84    85    87    88    98  
   81    82    79    80    83    87  
   80    83    84    85    86    87    89    94    98    99   103    81  
   83    84    85    98  
   82  
    0  
   84    85    86    87    88    89    90    91    92    94    98    99   103   104   105   106  
   85    86    87    89    94    98    99   103  
   86    87    88    89    90    91    92    93    94    98    99   103    95  
   87    88    89    90    91    92    98  
   88    89    90    91    92    98  
   89  
   90    91    92    93    94    98    95    96    97   100  
   91    92    93    94    95  
   92    93    94    95  
   93    94    98    99   103    95    96    97   100   101   102  
   94    98    95    96    97   100  
   98    99   103   104   105   106    95    96    97   100  
   96    97   100   101   102    98  
   97   100   101   102  
  100   101   102  
   99   103   104   105   106  
  103   104   105   106  
  101   102  
  102  
    0  
  104   105   106  
  105   106  
  106  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  100   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   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  1.522
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    46   469.000  1.400
   41    60   469.000  1.400
   46    47   469.000  1.400
   46    49   310.000  1.470
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    59   375.000  1.464
   55    60   469.000  1.400
   59    63   469.000  1.400
   59    78   469.000  1.400
   63    64   367.000  1.080
   63    71   469.000  1.400
   71    72   367.000  1.080
   71    76   469.000  1.400
   76    77   469.000  1.400
   76    87   310.000  1.470
   77    78   469.000  1.400
   77    79   310.000  1.470
   78    81   450.000  1.364
   81    82   553.000  0.945
   79    80   570.000  1.229
   79    83   317.000  1.522
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    98   268.000  1.529
   85    86   340.000  1.090
   85    87   317.000  1.522
   85    89   268.000  1.529
   87    88   570.000  1.229
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   340.000  1.090
   92    94   320.000  1.410
   92    95   268.000  1.529
   94    98   320.000  1.410
   98    99   340.000  1.090
   98   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   100   317.000  1.522
  100   101   656.000  1.250
  100   102   656.000  1.250
   60    65   450.000  1.364
   65    66   553.000  0.945
   49    50   570.000  1.229
   49    53   317.000  1.522
   53    54   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    67   320.000  1.410
   61    68   268.000  1.529
   67    39   320.000  1.410
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   317.000  1.522
   73    74   656.000  1.250
   73    75   656.000  1.250
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  110.18000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    53    49    63.00000  111.10000
   33    53    54    37.50000  110.70000
   33    53    56    58.35000  112.70000
   33    39    67    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   37    41    46    60.00000  119.52600
   37    41    60    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    46    47    63.00000  120.00000
   41    46    49    60.00000  119.52600
   41    60    55    63.00000  120.00000
   41    60    65    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    49    50    75.00000  123.78400
   46    49    53    65.00000  115.47100
   47    51    52    35.00000  120.00000
   47    51    55    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    55    59    60.00000  122.76000
   51    55    60    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    59    63    60.00000  122.76000
   55    59    78    60.00000  122.76000
   55    60    65    70.00000  120.00000
   59    63    64    35.00000  120.00000
   59    63    71    63.00000  120.00000
   59    78    77    63.00000  120.00000
   59    78    81    70.00000  120.00000
   63    71    72    35.00000  120.00000
   63    71    76    63.00000  120.00000
   71    63    64    35.00000  120.00000
   71    76    77    63.00000  120.00000
   71    76    87    60.00000  119.52600
   76    71    72    35.00000  120.00000
   76    77    78    63.00000  120.00000
   76    77    79    60.00000  119.52600
   76    87    85    65.00000  115.47100
   76    87    88    75.00000  123.78400
   77    78    81    70.00000  120.00000
   77    79    80    75.00000  123.78400
   77    79    83    65.00000  115.47100
   78    59    63    63.00000  120.00000
   78    81    82    35.00000  113.00000
   79    77    78    60.00000  119.52600
   79    83    84    35.00000  109.50000
   79    83    85    63.00000  111.10000
   79    83    98    63.00000  111.10000
   83    79    80    80.00000  120.40000
   83    85    86    37.50000  110.70000
   83    85    87    63.00000  111.10000
   83    85    89    58.35000  112.70000
   83    98    94    50.00000  109.50000
   83    98    99    37.50000  110.70000
   83    98   103    58.35000  112.70000
   85    83    84    37.50000  110.70000
   85    87    88    80.00000  120.40000
   85    89    90    37.50000  110.70000
   85    89    91    37.50000  110.70000
   85    89    92    58.35000  112.70000
   87    76    77    60.00000  119.52600
   87    85    86    35.00000  109.50000
   89    85    86    37.50000  110.70000
   89    85    87    63.00000  111.10000
   89    92    93    37.50000  110.70000
   89    92    94    50.00000  109.50000
   89    92    95    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    94    98    60.00000  109.50000
   92    95    96    37.50000  110.70000
   92    95    97    37.50000  110.70000
   92    95   100    70.00000  109.69300
   94    92    93    35.00000  109.50000
   94    98    99    35.00000  109.50000
   94    98   103    50.00000  109.50000
   98    83    84    37.50000  110.70000
   98    83    85    58.35000  112.70000
   98   103   104    37.50000  110.70000
   98   103   105    37.50000  110.70000
   98   103   106    37.50000  110.70000
  103    98    99    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    50.00000  109.50000
   95   100   101    70.00000  117.00000
   95   100   102    70.00000  117.00000
   97    95    96    33.00000  107.80000
  100    95    96    35.00000  109.50000
  100    95    97    35.00000  109.50000
  102   100   101    80.00000  126.00000
   60    41    46    63.00000  120.00000
   60    55    59    60.00000  122.76000
   60    65    66    35.00000  113.00000
   49    46    47    60.00000  119.52600
   49    53    54    35.00000  109.50000
   49    53    56    63.00000  111.10000
   53    33    37    63.00000  111.10000
   53    49    50    80.00000  120.40000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    61    58.35000  112.70000
   56    53    54    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    67    50.00000  109.50000
   56    61    68    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    67    39    60.00000  109.50000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    73    70.00000  109.69300
   67    61    62    35.00000  109.50000
   67    39    40    35.00000  109.50000
   67    39    42    50.00000  109.50000
   39    33    37    63.00000  111.10000
   39    33    53    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   42    39    40    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    67    50.00000  109.50000
   68    73    74    70.00000  117.00000
   68    73    75    70.00000  117.00000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   75    73    74    80.00000  126.00000
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
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   39    33    53    49  -0.18200 -1.0 2.0
   39    33    53    49   0.29450  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33   -53    56   0.56750  1.0 1.0
   39    33   -53    56  -0.07550 -1.0 2.0
   39    33   -53    56   0.20000  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   68    61    67    39   0.06250  1.0 1.0
   68    61    67    39  -0.01100 -1.0 2.0
   68    61    67    39   0.28050  1.0 3.0
   69    68    73    74   0.00000  1.0 1.0
   69    68    73    75   0.00000  1.0 1.0
   70    68    73    74   0.00000  1.0 1.0
   70    68    73    75   0.00000  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   46    60    41    37   4.00000 -1.0 2.0
   47    49    46    41   4.00000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   55    52    51    47   1.10000 -1.0 2.0
   59    60    55    51   4.00000 -1.0 2.0
   63    78    59    55   4.00000 -1.0 2.0
   71    64    63    59   1.10000 -1.0 2.0
   76    72    71    63   1.10000 -1.0 2.0
   77    87    76    71   4.00000 -1.0 2.0
   78    79    77    76   4.00000 -1.0 2.0
   77    81    78    59   4.00000 -1.0 2.0
   77    83    79    80  10.50000 -1.0 2.0
   76    85    87    88  10.50000 -1.0 2.0
  101    95   100   102  10.50000 -1.0 2.0
   55    65    60    41   4.00000 -1.0 2.0
   46    53    49    50  10.50000 -1.0 2.0
   74    68    73    75  10.50000 -1.0 2.0
END
