* LIGAND DATABASE FILE (OPLS2005)
*
001     112   113    213    315     630
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02050   106.65730   -14.65658
    3     1 S   H    _H1_     3     1.02094    56.22287    87.03170
    4     1 S   H    _H2_     4     1.02131    55.86788  -116.30233
    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     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C15    36     1.84025    97.55640   161.86314
   34    33 S   HC   _H3_    37     1.09872   103.52273    32.69546
   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   CT   _C6_    38     1.54272   108.00568   -80.02046
   39    38 S   HC   _H35    39     1.09807   109.63861    36.92560
   40    38 S   HC   _H36    40     1.09124   111.02742   -80.90357
   41    33 S   CT   _C19    59     1.57135   114.03792   147.96966
   42    38 S   CO4  _C4_    41     1.52824   114.50021   153.71426
   43    42 S   O    _O27    42     1.23323   122.01732   -14.64340
   44    41 S   CT   _C24    60     1.54630   110.43606   -56.18849
   45    44 S   HC   _H63    61     1.08291   108.83273   180.00000
   46    44 S   HC   _H64    62     1.08287   108.90042    60.04957
   47    44 S   HC   _H65    63     1.08172   108.88814   -60.03683
   48    41 S   OH   _O34    64     1.44275   107.40323  -169.54801
   49    48 S   HO   _H78    65     0.96446   105.48275    59.93355
   50    42 S   CT   _C9_    43     1.52988   118.38353   167.57544
   51    50 S   HC   _H41    44     1.09624   106.81644   170.51013
   52    50 S   CT   _C7_    45     1.53662   112.09917   -69.82341
   53    52 S   HC   _H37    46     1.09400   108.36193    63.58501
   54    52 S   HC   _H38    47     1.09839   108.76311   178.15878
   55    50 S   CT   _C20   109     1.52758   110.69300    54.69715
   56    55 S   HC   _H51   110     1.08871   109.77494   -64.12621
   57    55 S   HC   _H52   111     1.08898   109.77893   175.86048
   58    55 S   HC   _H53   112     1.08916   109.77994    55.88280
   59    52 S   CT   _C11    48     1.54702   114.57897   -59.52876
   60    59 S   HC   _H43    49     1.09505   109.35701    49.70931
   61    59 S   CT   _C13    50     1.55313   112.31796   169.07942
   62    61 S   HC   _H45    51     1.09837   108.81577   173.57529
   63    59 S   CT   _C22   105     1.53641   110.67792   -67.23805
   64    63 S   HC   _H57   106     1.08587   109.34661   -61.24576
   65    63 S   HC   _H58   107     1.08519   109.36247   178.72666
   66    63 S   HC   _H59   108     1.08540   109.33278    58.73646
   67    61 S   CT   _C10    52     1.54239   114.31484   -65.29777
   68    67 S   HC   _H42    53     1.09556   110.56402    63.56351
   69    61 S   OS   _O35    77     1.42946   109.92301    56.51491
   70    67 S   CO4  _C5_    54     1.51875   111.16191   -57.90346
   71    70 S   O    _O28    55     1.22515   123.94136   -73.90623
   72    67 S   CT   _C21    73     1.53409   111.75165  -179.20230
   73    72 S   HC   _H54    74     1.08612   109.50248    59.80575
   74    72 S   HC   _H55    75     1.08637   109.44665   -60.18477
   75    72 S   HC   _H56    76     1.08654   109.47671   179.83687
   76    69 S   CO   _C18    78     1.42722   111.29642   118.07613
   77    76 S   HC   _H50    79     1.09710   107.20836    59.96242
   78    70 S   OS   _O29    56     1.36618   109.81549   106.00634
   79    76 S   CT   _C14    80     1.53215   107.90301   179.55413
   80    79 S   HC   _H46    81     1.09722   109.51839    51.50489
   81    78 S   CT   _C17    57     1.44944   118.48256   173.32438
   82    81 S   HC   _H49    58     1.09866   108.58732    -5.63868
   83    79 S   CT   _C12    82     1.53448   110.90040   173.96320
   84    83 S   HC   _H44    83     1.09320   109.47819    70.36263
   85    79 S   OH   _O33   103     1.42739   107.94166   -65.61645
   86    85 S   HO   _H77   104     0.96958   106.47111   -61.07916
   87    81 S   CT   _C28    66     1.52408   106.04338  -119.74634
   88    87 S   HC   _H75    67     1.09423   109.18755   176.90370
   89    87 S   HC   _H76    68     1.09397   109.22025   -65.74275
   90    83 S   CT   _C8_    84     1.53161   110.45921   -50.07219
   91    90 S   HC   _H39    85     1.09662   110.36786   174.17947
   92    90 S   HC   _H40    86     1.09882   109.25645   -67.91013
   93    83 S   NTH0 _N26    94     1.46408   110.80905  -171.58541
   94    87 S   CT   _C25    69     1.49402   111.83485    55.57923
   95    94 S   HC   _H66    70     1.09607   109.68322   -58.83678
   96    94 S   HC   _H67    71     1.09530   110.88666  -178.11966
   97    94 S   HC   _H68    72     1.09506   110.83792    60.38761
   98    90 S   CT   _C16    87     1.52990   110.21279    52.12283
   99    98 S   HC   _H48    88     1.09700   110.47925    62.34424
  100    93 S   CT   _C26    95     1.46158   110.35852   -77.94118
  101   100 S   HC   _H69    96     1.09369   110.06647   179.93744
  102   100 S   HC   _H70    97     1.09360   110.19560    60.00230
  103   100 S   HC   _H71    98     1.09274   110.24722   -60.03527
  104    93 S   CT   _C27    99     1.46147   110.39440   159.55322
  105   104 S   HC   _H72   100     1.09367   110.13835   179.98022
  106   104 S   HC   _H73   101     1.09396   110.23110    59.98910
  107   104 S   HC   _H74   102     1.09336   110.26820   -59.97057
  108    76 S   OS   _O30    89     1.42549   109.67978   -59.63332
  109    98 S   CT   _C23    90     1.52156   111.09587  -176.87444
  110   109 S   HC   _H60    91     1.09066   110.07189    58.13749
  111   109 S   HC   _H61    92     1.09085   110.07935   -61.79509
  112   109 S   HC   _H62    93     1.08989   110.08563   178.18318
  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  10   5   4   3
  18   8   2   1   1  12   5   4  15  11   4   9   4   3   2   5
   1  12   8  16   6   5   4   2   1   1  13   8  19   7   5   2
   1   1  11   8  10   9   3   4   2   1   1  13   6   6  13   7
   8   4  19   8   4   1   6   5   4  12   6   5   9   3   2   1
   1   6   5   7   3   2   1   3   2   1   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    81    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    50    78    81    82    41    44    45    46    47    48    49    87  
   38    39    40    42    81    41    44    48  
   36    37  
   37  
    0  
   39    40    42    43    50    51    52    81    41    44    48    55  
   40    42    43    50    41  
   42    43    50    41  
   44    45    46    47    48    49    87    88    89    94    42    70    78    81    82  
   43    50    51    52    53    54    59    55    56    57    58  
   50    51    52    55  
   45    46    47    48    49    87    78    81    82  
   46    47    48    81  
   47    48    81  
   48    81  
   49    87    78    81    82  
   81  
   51    52    53    54    59    60    61    63    55    56    57    58  
   52    53    54    59    55    56    57    58  
   53    54    59    60    61    62    67    69    63    64    65    66    55    56    57    58  
   54    59    60    61    63    55  
   59    60    61    63    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    67    68    70    72    69    76    63    64    65    66  
   61    62    67    69    63    64    65    66  
   62    67    68    70    71    78    72    73    74    75    69    76    77    79   108    63    64    65    66  
   67    68    70    72    69    76    63  
   64    65    66    67    69  
   65    66  
   66  
    0  
   68    70    71    78    81    72    73    74    75    69    76  
   70    71    78    72    73    74    75    69  
   76    77    79    80    83    98   108    85    70    72  
   71    78    81    82    87    72    73    74    75  
   78    81    72  
   73    74    75    78  
   74    75  
   75  
    0  
   77    79    80    83    84    90    98    99   108   109    93    85    86  
   79    80    83    98   108    85  
   81    82    87    88    89    94  
   80    83    84    90    91    92    98   108    93   100   104    85    86  
   83    84    90   108    93    85    86  
   82    87    88    89    94    95    96    97  
   87    88    89    94  
   84    90    91    92    98    99   108   109    93   100   101   102   103   104   105   106   107    85    86  
   90    91    92    98    93   100   104    85  
   86    90    93   108  
    0  
   88    89    94    95    96    97  
   89    94    95    96    97  
   94    95    96    97  
   91    92    98    99   108   109   110   111   112    93   100   104  
   92    98    99   108   109    93  
   98    99   108   109    93  
  100   101   102   103   104   105   106   107    98  
   95    96    97  
   96    97  
   97  
    0  
   99   108   109   110   111   112  
  108   109   110   111   112  
  101   102   103   104   105   106   107  
  102   103   104  
  103   104  
  104  
  105   106   107  
  106   107  
  107  
    0  
  109   110   111   112  
  110   111   112  
  111   112  
  112  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   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    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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    50   317.000  1.522
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    69   320.000  1.410
   67    68   340.000  1.090
   67    70   317.000  1.522
   67    72   268.000  1.529
   70    71   570.000  1.229
   70    78   214.000  1.327
   78    81   320.000  1.410
   81    82   340.000  1.090
   81    41   268.000  1.529
   81    87   268.000  1.529
   41    44   268.000  1.529
   41    48   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   553.000  0.945
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   69    76   320.000  1.380
   76    77   340.000  1.090
   76    79   250.000  1.527
   76   108   320.000  1.380
   79    80   340.000  1.090
   79    83   268.000  1.529
   79    85   320.000  1.410
   83    84   340.000  1.090
   83    90   268.000  1.529
   83    93   310.000  1.447
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    98   268.000  1.529
   98    99   340.000  1.090
   98   108   320.000  1.410
   98   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   93   100   310.000  1.447
   93   104   310.000  1.447
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   85    86   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    41    81    58.35000  112.70000
   33    41    44    58.35000  112.70000
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    50    70.00000  116.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    50    51    35.00000  109.50000
   42    50    52    63.00000  111.10000
   42    50    55    63.00000  111.10000
   50    42    43    80.00000  120.40000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    59    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    58.35000  112.70000
   52    59    63    58.35000  112.70000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    67    58.35000  112.70000
   59    61    69    50.00000  109.50000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    37.50000  110.70000
   61    59    60    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    70    63.00000  111.10000
   61    67    72    58.35000  112.70000
   61    69    76    60.00000  109.50000
   67    61    62    37.50000  110.70000
   67    70    71    80.00000  120.40000
   67    70    78    81.00000  111.40000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   70    67    68    35.00000  109.50000
   70    78    81    83.00000  116.90000
   78    70    71    83.00000  123.40000
   78    81    82    35.00000  109.50000
   78    81    41    50.00000  109.50000
   78    81    87    50.00000  109.50000
   81    41    44    58.35000  112.70000
   81    41    48    50.00000  109.50000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    94    58.35000  112.70000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    81    82    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    55.00000  108.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    44    50.00000  109.50000
   87    81    82    37.50000  110.70000
   87    81    41    58.35000  112.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    97    37.50000  110.70000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    70    63.00000  111.10000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   69    61    62    35.00000  109.50000
   69    61    67    50.00000  109.50000
   69    76    77    35.00000  109.50000
   69    76    79    90.00000  108.56700
   69    76   108    92.60000  111.55000
   76    79    80    45.00000  108.72000
   76    79    83    75.00000  109.43000
   76    79    85    90.00000  111.58700
   76   108    98    60.00000  109.50000
   79    76    77    45.00000  112.01100
   79    83    84    37.50000  110.70000
   79    83    90    58.35000  112.70000
   79    83    93    75.00000  113.73300
   79    85    86    55.00000  108.50000
   83    79    80    37.50000  110.70000
   83    90    91    37.50000  110.70000
   83    90    92    37.50000  110.70000
   83    90    98    58.35000  112.70000
   83    93   100    80.00000  110.40700
   83    93   104    80.00000  110.40700
   90    83    84    37.50000  110.70000
   90    98    99    37.50000  110.70000
   90    98   108    50.00000  109.50000
   90    98   109    58.35000  112.70000
   92    90    91    33.00000  107.80000
   98    90    91    37.50000  110.70000
   98    90    92    37.50000  110.70000
   98   109   110    37.50000  110.70000
   98   109   111    37.50000  110.70000
   98   109   112    37.50000  110.70000
  108    76    77    35.00000  109.50000
  108    76    79    90.00000  108.56700
  108    98    99    35.00000  109.50000
  109    98    99    37.50000  110.70000
  109    98   108    50.00000  109.50000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   93    83    84    50.00000  110.15500
   93    83    90    75.00000  113.73300
   93   100   101    50.00000  110.15500
   93   100   102    50.00000  110.15500
   93   100   103    50.00000  110.15500
   93   104   105    50.00000  110.15500
   93   104   106    50.00000  110.15500
   93   104   107    50.00000  110.15500
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    93   100    80.00000  110.40700
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   85    79    80    35.00000  109.50000
   85    79    83    50.00000  109.50000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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
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   99    98   109   111   0.15000  1.0 3.0
   99    98   109   112   0.15000  1.0 3.0
  108    76    79    80   0.23400  1.0 3.0
  108    76   -79    83   0.62750  1.0 1.0
  108    76   -79    83  -0.30950 -1.0 2.0
  108    76   -79    83   0.27300  1.0 3.0
  108    76    79    85   3.69350  1.0 1.0
  108    76    79    85  -1.82950 -1.0 2.0
  108    98   109   110   0.23400  1.0 3.0
  108    98   109   111   0.23400  1.0 3.0
  108    98   109   112   0.23400  1.0 3.0
  109    98   108    76   0.06250  1.0 1.0
  109    98   108    76  -0.01100 -1.0 2.0
  109    98   108    76   0.28050  1.0 3.0
   93    83    90    91   0.15000  1.0 3.0
   93    83    90    92   0.15000  1.0 3.0
   93    83    90    98   1.85550  1.0 1.0
   93    83    90    98  -0.84100 -1.0 2.0
  100    93   104   105   0.28000  1.0 3.0
  100    93   104   106   0.28000  1.0 3.0
  100    93   104   107   0.28000  1.0 3.0
  104    93   100   101   0.28000  1.0 3.0
  104    93   100   102   0.28000  1.0 3.0
  104    93   100   103   0.28000  1.0 3.0
   85    79    83    84   0.23400  1.0 3.0
   85    79    83    90   0.86500  1.0 1.0
   85    79    83    90  -0.17500 -1.0 2.0
   85    79    83    90   0.20800  1.0 3.0
   85    79    83    93   3.18500  1.0 1.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    67   0.56750  1.0 1.0
   63    59    61    67  -0.07550 -1.0 2.0
   63    59    61    67   0.20000  1.0 3.0
   63    59    61    69   0.62750  1.0 1.0
   63    59    61    69  -0.30950 -1.0 2.0
   63    59    61    69   0.27300  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    59   0.56750  1.0 1.0
   55    50    52    59  -0.07550 -1.0 2.0
   55    50    52    59   0.20000  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
   38    50    42    43  10.50000 -1.0 2.0
   67    78    70    71  10.50000 -1.0 2.0
END
