* LIGAND DATABASE FILE (OPLS2005)
*
001     107   112    205    331     607
    1     0 S   NP   _N1_     1    28.64455    95.22474   -21.20046
    2     1 S   H    _HN1     2     1.02774    87.28597   -68.25757
    3     1 S   H    _H1_     3     1.02955    85.88602    40.37718
    4     1 S   H    _H2_     4     1.02829    36.70815   166.36173
    5     1 S   CT   _CA1     5     1.50057   147.39481   162.74929
    6     5 S   HC   _HA1     6     1.09592   105.21178    61.14247
    7     5 S   CO3  _C1_     7     1.53794   112.66484   -58.85426
    8     7 S   O2Z  _O11     8     1.26339   115.03519   -40.65717
    9     7 S   O2Z  _O12     9     1.26309   114.86684   138.76224
   10     5 S   CT   _CB1    10     1.53136   107.46221   178.91070
   11    10 S   HC   HB11    11     1.09801   109.18373   -53.01935
   12    10 S   HC   HB12    12     1.09810   110.52711    63.58634
   13    10 S   CT   _CG1    13     1.52840   112.43901  -174.29295
   14    13 S   HC   HG11    14     1.09577   110.11130   -66.19074
   15    13 S   HC   HG12    15     1.09647   109.95211    52.88328
   16    13 S   C    _CD1    16     1.51706   112.91531   173.01116
   17    16 S   O    _OE1    17     1.22677   123.45132    -9.33185
   18    16 S   N    _N2_    18     1.38578   111.26810   171.64405
   19    18 S   H    _HN2    19     1.01457   118.83538    -0.79917
   20    18 S   CT1  _CA2    20     1.46001   123.75695   178.23497
   21    20 S   HC   _HA2    21     1.09651   109.45440    -7.63018
   22    20 S   C    _C2_    22     1.53656   109.51741  -124.52685
   23    22 S   O    _O2_    23     1.23102   121.65160  -162.64175
   24    20 S   CT   _CB2    32     1.53445   111.23820   114.88699
   25    24 S   HC   HB21    33     1.09430   109.01013    61.78156
   26    24 S   HC   HB22    34     1.09524   109.98803   179.49954
   27    22 S   N    _N3_    24     1.38090   114.40221    22.01070
   28    27 S   H    _HN3    25     1.01609   119.30024     1.99675
   29    24 S   S    _SG2    35     1.83025   112.41812   -60.78116
   30    27 S   CT   _CA3    26     1.45354   123.60593  -178.97588
   31    30 S   HC   HA31    27     1.09496   107.27352   -84.82303
   32    30 S   HC   HA32    28     1.09546   108.77751    32.10995
   33    29 S   CT   _C27    36     1.92555   101.50616   150.57333
   34    30 S   CO3  _C3_    29     1.52944   113.32066   154.93798
   35    34 S   O2Z  _O31    30     1.26381   115.73255    22.05285
   36    34 S   O2Z  _O32    31     1.26360   114.68582  -157.71974
   37    33 S   CO4  _C17    37     1.54298   103.64158   -63.23740
   38    37 S   O    _O34    38     1.23079   121.53794   -47.01843
   39    33 S   NT   _N31    89     1.48383   107.38408  -178.30523
   40    37 S   CA   _C10    39     1.49505   119.03905   134.29917
   41    39 S   CT1  _C22    90     1.47074   120.08441   165.55885
   42    41 S   HC   _H51    91     1.09233   111.76984    32.52608
   43    40 S   CA   _C9_    40     1.40004   120.05027     8.28681
   44    41 S   CO4  _C18    92     1.52091   103.72306   145.62607
   45    44 S   O    _O35    93     1.22138   126.33936   175.72327
   46    41 S   CTE  _C33    95     1.55544   113.42255   -93.38426
   47    46 S   HC   _H70    96     1.09317   108.01380    60.90802
   48    43 S   CA   _C5_    41     1.40172   121.07453   176.39001
   49    48 S   HA   _H43    42     1.08739   121.05623  -179.96044
   50    43 S   CO4  _C16    69     1.47466   120.77877    -3.01714
   51    50 S   O    _O33    70     1.22604   119.80344   154.64735
   52    76 S   OS   _O36    94     1.42457   107.76881   129.66172
   53    46 S   CT   _C31    97     1.53598   111.49332   175.42457
   54    53 S   HC   _H65    98     1.09371   112.12534    77.39860
   55    53 S   HC   _H66    99     1.09516   110.98721   -44.13347
   56    53 S   HC   _H67   100     1.09518   110.69687  -162.74465
   57    46 S   CT   _C32   101     1.54503   113.01929   -57.52893
   58    57 S   HC   _H68   102     1.09616   109.71776    51.83548
   59    57 S   HC   _H69   103     1.09621   110.38338   -65.66702
   60    48 S   CA   _C4_    43     1.39103   120.04283     0.17914
   61    60 S   HA   _H42    44     1.08617   120.16060  -179.67195
   62    33 S   CT   _C20    71     1.54127   108.76211    58.21297
   63    62 S   HC   _H49    72     1.09754   109.59815   -45.03577
   64    57 S   CT   _C30   104     1.52345   113.39389   172.09865
   65    64 S   HC   _H62   105     1.09380   111.57623    66.29033
   66    64 S   HC   _H63   106     1.09460   111.03610   -55.01373
   67    64 S   HC   _H64   107     1.09486   109.99065  -174.47132
   68    60 S   CA   _C6_    45     1.39050   119.71804    -0.13706
   69    68 S   HA   _H44    46     1.08734   119.52506  -178.86668
   70    62 S   CA   _C12    73     1.51605   112.75367    73.89777
   71    40 S   CA   _C14    47     1.40605   121.76475  -174.58195
   72    70 S   CA   _C11    74     1.40350   120.14548    20.44890
   73    71 S   OS   _O41    48     1.37036   122.83984    -1.56523
   74    72 S   CA   _C7_    75     1.40878   119.21767  -179.09259
   75    74 S   HA   _H45    76     1.08905   119.39039   179.33031
   76    72 S   CO   _C21    87     1.51729   121.77756    -1.55909
   77    76 S   HC   _H50    88     1.09680   107.82619  -115.20875
   78    73 S   CO   _C26    49     1.44072   112.50601    89.85411
   79    78 S   HC   _H55    50     1.09724   109.37497   -57.49447
   80    74 S   CA   _C13    77     1.39995   121.48372    -0.44323
   81    78 S   CT   _C19    51     1.53039   105.92453  -175.77627
   82    81 S   HC   _H47    52     1.09669   110.41055    59.76771
   83    81 S   HC   _H48    53     1.09852   109.92975   -55.38775
   84    80 S   CA   _C8_    78     1.39552   119.00092    -0.64437
   85    84 S   HA   _H46    79     1.08699   119.80919  -179.06476
   86    80 S   CT   _C28    83     1.49911   120.40753  -178.15644
   87    86 S   HC   _H56    84     1.09432   109.99228    87.79608
   88    86 S   HC   _H57    85     1.09511   110.95695  -151.72215
   89    86 S   HC   _H58    86     1.09510   110.90333   -32.70881
   90    81 S   CT   _C23    54     1.52411   111.15985  -176.96210
   91    90 S   HC   _H52    55     1.09539   109.34618   -67.71274
   92    70 S   CA   _C15    80     1.40524   120.95910  -159.48609
   93    90 S   CT   _C24    56     1.53108   110.74646    52.12400
   94    93 S   HC   _H53    57     1.09554   109.90185  -175.63013
   95    90 S   OH   _O39    67     1.42310   110.41787   174.46944
   96    95 S   HO   _H72    68     0.97602   107.92639    51.31028
   97    92 S   OH   _O38    81     1.37051   118.99063    -0.03426
   98    97 S   HO   _H71    82     0.97227   108.82471  -178.84005
   99    93 S   CT   _C25    58     1.53671   109.18533   -52.95874
  100    99 S   HC   _H54    59     1.09768   109.83948   -61.93243
  101    93 S   OH   _O40    65     1.43056   108.96275    67.21139
  102   101 S   HO   _H73    66     0.97184   107.53681   166.09346
  103    78 S   OS   _O37    60     1.43240   112.90746    63.80199
  104    99 S   CT   _C29    61     1.52336   112.82392   177.30303
  105   104 S   HC   _H59    62     1.09510   111.63044   -66.04673
  106   104 S   HC   _H60    63     1.09572   110.01176   176.30011
  107   104 S   HC   _H61    64     1.09403   111.30378    56.08636
  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  11   5   4   3
  20   2   1   1  14   5  18  12  18   8  12   9   3  14   8   9
   4   8   3   5   7   3   2   1   6   5   4   5   3   8   3   3
   2   1   1   4   2  11   5   9   8  11   4   3   1  12   6   8
  11   6   5   8   3   4   2   1   1  11   6   2  12   7   3   1
   1   1   8   6   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    50    62    63    70    76    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    71    50    51    62    63    70    72    92    76    77    39    41    42    44    52    46  
   35    36  
   36  
    0  
   38    40    43    48    68    71    73    50    62    63    70    76    39    41  
   40    43    71    62    39  
   41    42    44    45    52    46    47    53    57    40    50    62    63    70    72    74    76    77  
   43    48    49    60    68    69    71    73    78    50    51    62  
   42    44    45    52    46    47    53    54    55    56    57    58    59    64    62    72    76    77  
   44    45    52    46    47    53    57    76  
   48    49    60    61    68    71    73    50    51    62    63    70  
   45    52    46    47    53    57    72    76    77  
   52    46    76  
   47    53    54    55    56    57    58    59    64    65    66    67    52    76  
   53    54    55    56    57    58    59    64  
   49    60    61    68    69    71    50    51    62  
   60    61    68    50  
   51    62    63    70    72    92    60    71  
   62    63    70  
   70    72    74    76    77  
   54    55    56    57    58    59    64  
   55    56    57  
   56    57  
   57  
   58    59    64    65    66    67  
   59    64    65    66    67  
   64    65    66    67  
   61    68    69    71    73  
   68    69    71  
   63    70    72    74    84    92    97    76  
   70    72    92  
   65    66    67  
   66    67  
   67  
    0  
   69    71    73    78  
   71    73  
   72    74    75    80    84    85    92    97    98    76    77  
   73    78    79    81   103  
   74    75    80    84    92    97    86    76    77  
   78    79    81    82    83    90    99   103  
   75    80    84    85    92    86    87    88    89    76    77  
   80    84    86    76  
   77    80    92  
    0  
   79    81    82    83    90    91    93    99   100   103   104    95  
   81    82    83    90    99   103  
   84    85    92    97    86    87    88    89  
   82    83    90    91    93    94    99   103   101    95    96  
   83    90    91    93   103    95  
   90    91    93   103    95  
   85    92    97    98    86    87    88    89  
   92    97    86  
   87    88    89    92  
   88    89  
   89  
    0  
   91    93    94    99   100   103   104   101   102    95    96  
   93    94    99   101    95    96  
   97    98  
   94    99   100   103   104   105   106   107   101   102    95    96  
   99   100   103   104   101   102    95  
   96    99   101  
    0  
   98  
    0  
  100   103   104   105   106   107   101   102  
  103   104   105   106   107   101  
  102   103   104  
    0  
  104   105   106   107  
  105   106   107  
  106   107  
  107  
    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   0.377500   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   3.3000   0.1700  -0.455000   1.9050   1.6860   0.051222218  -2.220205820
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   93   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  103   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  107   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    62   268.000  1.529
   33    39   382.000  1.448
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    71   469.000  1.400
   43    48   469.000  1.400
   43    50   310.000  1.470
   48    49   367.000  1.080
   48    60   469.000  1.400
   60    61   367.000  1.080
   60    68   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    73   450.000  1.364
   73    78   320.000  1.380
   78    79   340.000  1.090
   78    81   250.000  1.527
   78   103   320.000  1.380
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    90   268.000  1.529
   90    91   340.000  1.090
   90    93   268.000  1.529
   90    95   320.000  1.410
   93    94   340.000  1.090
   93    99   268.000  1.529
   93   101   320.000  1.410
   99   100   340.000  1.090
   99   103   320.000  1.410
   99   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  101   102   553.000  0.945
   95    96   553.000  0.945
   50    51   570.000  1.229
   50    62   317.000  1.522
   62    63   340.000  1.090
   62    70   317.000  1.510
   70    72   469.000  1.400
   70    92   469.000  1.400
   72    74   469.000  1.400
   72    76   270.000  1.504
   74    75   367.000  1.080
   74    80   469.000  1.400
   80    84   469.000  1.400
   80    86   317.000  1.510
   84    85   367.000  1.080
   84    92   469.000  1.400
   92    97   450.000  1.364
   97    98   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   76    77   340.000  1.090
   76    39   340.000  1.430
   76    52   320.000  1.380
   39    41   305.000  1.457
   41    42   340.000  1.090
   41    44   255.000  1.522
   41    46   268.000  1.529
   44    45   570.000  1.229
   44    52   214.000  1.327
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    57   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    62    75.00000  111.63000
   29    33    39    85.00000  109.00000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    62    50    63.00000  111.10000
   33    62    63    37.50000  110.70000
   33    62    70    70.00000  112.17500
   33    39    76    80.00000  111.82000
   33    39    41    51.80000  107.20000
   37    40    43    60.00000  119.52600
   37    40    71    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    48    63.00000  120.00000
   40    43    50    60.00000  119.52600
   40    71    68    63.00000  120.00000
   40    71    73    70.00000  120.00000
   43    48    49    35.00000  120.00000
   43    48    60    63.00000  120.00000
   43    50    51    75.00000  123.78400
   43    50    62    65.00000  115.47100
   48    60    61    35.00000  120.00000
   48    60    68    63.00000  120.00000
   60    48    49    35.00000  120.00000
   60    68    69    35.00000  120.00000
   60    68    71    63.00000  120.00000
   68    60    61    35.00000  120.00000
   68    71    73    70.00000  120.00000
   71    40    43    63.00000  120.00000
   71    68    69    35.00000  120.00000
   71    73    78   100.00000  112.36700
   73    78    79    35.00000  109.50000
   73    78    81    90.00000  108.56700
   73    78   103    92.60000  111.55000
   78    81    82    45.00000  108.72000
   78    81    83    45.00000  108.72000
   78    81    90    75.00000  109.43000
   78   103    99    60.00000  109.50000
   81    78    79    45.00000  112.01100
   81    90    91    37.50000  110.70000
   81    90    93    58.35000  112.70000
   81    90    95    50.00000  109.50000
   83    81    82    33.00000  107.80000
   90    81    82    37.50000  110.70000
   90    81    83    37.50000  110.70000
   90    93    94    37.50000  110.70000
   90    93    99    58.35000  112.70000
   90    93   101    50.00000  109.50000
   90    95    96    55.00000  108.50000
   93    90    91    37.50000  110.70000
   93    99   100    37.50000  110.70000
   93    99   103    50.00000  109.50000
   93    99   104    58.35000  112.70000
   93   101   102    55.00000  108.50000
   99    93    94    37.50000  110.70000
   99   104   105    37.50000  110.70000
   99   104   106    37.50000  110.70000
   99   104   107    37.50000  110.70000
  103    78    79    35.00000  109.50000
  103    78    81    90.00000  108.56700
  103    99   100    35.00000  109.50000
  104    99   100    37.50000  110.70000
  104    99   103    50.00000  109.50000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  101    93    94    35.00000  109.50000
  101    93    99    50.00000  109.50000
   95    90    91    35.00000  109.50000
   95    90    93    50.00000  109.50000
   50    43    48    60.00000  119.52600
   50    62    63    35.00000  109.50000
   50    62    70    70.00000  110.93000
   62    33    37    63.00000  111.10000
   62    50    51    80.00000  120.40000
   62    70    72    70.00000  120.00000
   62    70    92    70.00000  120.00000
   70    62    63    35.00000  109.50000
   70    72    74    63.00000  120.00000
   70    72    76    60.00000  120.68000
   70    92    84    63.00000  120.00000
   70    92    97    70.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    80    63.00000  120.00000
   72    76    77    45.00000  112.15300
   72    76    39    75.00000  112.33000
   72    76    52    90.00000  107.97000
   74    80    84    63.00000  120.00000
   74    80    86    70.00000  120.00000
   80    74    75    35.00000  120.00000
   80    84    85    35.00000  120.00000
   80    84    92    63.00000  120.00000
   80    86    87    35.00000  109.50000
   80    86    88    35.00000  109.50000
   80    86    89    35.00000  109.50000
   84    92    97    70.00000  120.00000
   92    70    72    63.00000  120.00000
   92    84    85    35.00000  120.00000
   92    97    98    35.00000  113.00000
   86    80    84    70.00000  120.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   76    72    74    60.00000  120.68000
   76    39    41    80.00000  111.82000
   76    52    44    95.00000  111.08000
   39    33    37    75.00000  112.82000
   39    33    62    56.20000  109.47000
   39    76    77    50.00000  110.45300
   39    41    42    50.00000  109.55000
   39    41    44    75.00000  112.91400
   39    41    46    75.00000  111.58000
   41    44    45    75.00000  123.42600
   41    44    52    90.00000  109.72300
   41    46    47    37.50000  110.70000
   41    46    53    58.35000  112.70000
   41    46    57    58.35000  112.70000
   44    41    42    45.00000  110.09800
   52    76    77    35.00000  109.50000
   52    76    39   100.00000  112.06800
   52    44    45    83.00000  123.40000
   46    41    42    37.50000  110.70000
   46    41    44    63.00000  111.10000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   46    57    58    37.50000  110.70000
   46    57    59    37.50000  110.70000
   46    57    64    58.35000  112.70000
   53    46    47    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    46    47    37.50000  110.70000
   57    46    53    58.35000  112.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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
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   47    46    57    64   0.15000  1.0 3.0
   53    46    57    58   0.15000  1.0 3.0
   53    46    57    59   0.15000  1.0 3.0
   53    46    57    64   0.65000  1.0 1.0
   53    46    57    64  -0.02500 -1.0 2.0
   53    46    57    64   0.10000  1.0 3.0
   57    46    53    54   0.15000  1.0 3.0
   57    46    53    55   0.15000  1.0 3.0
   57    46    53    56   0.15000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    66   0.15000  1.0 3.0
   59    57    64    67   0.15000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   43    71    40    37   4.00000 -1.0 2.0
   48    50    43    40   4.00000 -1.0 2.0
   60    49    48    43   1.10000 -1.0 2.0
   68    61    60    48   1.10000 -1.0 2.0
   71    69    68    60   1.10000 -1.0 2.0
   68    73    71    40   4.00000 -1.0 2.0
   43    62    50    51  10.50000 -1.0 2.0
   72    92    70    62   4.00000 -1.0 2.0
   74    76    72    70   4.00000 -1.0 2.0
   80    75    74    72   1.10000 -1.0 2.0
   84    86    80    74   4.00000 -1.0 2.0
   92    85    84    80   1.10000 -1.0 2.0
   84    97    92    70   4.00000 -1.0 2.0
   41    52    44    45  10.50000 -1.0 2.0
END
