* LIGAND DATABASE FILE (OPLS2005)
*
001     108   111    218    350     657
    1     0 S   NP   _N1_     1    29.34480    93.75763   -25.50156
    2     1 S   H    _HN1     2     1.02958    84.57752     4.93570
    3     1 S   H    _H1_     3     1.02826    22.46253  -175.24124
    4     1 S   H    _H2_     4     1.02787   116.43749  -102.92926
    5     1 S   CT   _CA1     5     1.50146   120.56727   115.44343
    6     5 S   HC   _HA1     6     1.09571   105.20835    81.67773
    7     5 S   CO3  _C1_     7     1.53808   112.53309   -38.48445
    8     7 S   O2Z  _O11     8     1.26363   115.03701   -39.58421
    9     7 S   O2Z  _O12     9     1.26243   114.94843   139.54601
   10     5 S   CT   _CB1    10     1.53032   107.32982  -160.37476
   11    10 S   HC   HB11    11     1.09832   109.41338   -50.33600
   12    10 S   HC   HB12    12     1.09629   110.18744    66.09239
   13    10 S   CT   _CG1    13     1.52941   112.86194  -171.50319
   14    13 S   HC   HG11    14     1.09572   110.71018   -66.20858
   15    13 S   HC   HG12    15     1.09662   109.68582    53.04446
   16    13 S   C    _CD1    16     1.51806   112.16023   173.73697
   17    16 S   O    _OE1    17     1.22729   123.28886    12.41170
   18    16 S   N    _N2_    18     1.38625   111.74704  -168.03277
   19    18 S   H    _HN2    19     1.01580   118.99087     1.61350
   20    18 S   CT1  _CA2    20     1.46111   123.35228   177.28171
   21    20 S   HC   _HA2    21     1.09580   109.28331     3.65532
   22    20 S   C    _C2_    22     1.53578   108.87921  -111.46568
   23    22 S   O    _O2_    23     1.23067   122.19109  -149.31262
   24    20 S   CT   _CB2    32     1.53253   111.58612   126.09125
   25    24 S   HC   HB21    33     1.09651   109.69606    60.40509
   26    24 S   HC   HB22    34     1.09558   111.10812   177.94272
   27    22 S   N    _N3_    24     1.38300   113.77363    38.22321
   28    27 S   H    _HN3    25     1.01573   119.58592    -3.37771
   29    24 S   S    _SG2    35     1.82818   114.11499   -59.31832
   30    27 S   CT   _CA3    26     1.45281   123.27791   177.10396
   31    30 S   HC   HA31    27     1.09547   107.53000   -64.35632
   32    30 S   HC   HA32    28     1.09555   107.97708    52.09998
   33    29 S   CT   _C29    36     1.82968    99.79731   -69.52864
   34    33 S   HC   _H43    37     1.09295   106.34328   -52.41324
   35    33 S   HC   _H44    38     1.09305   109.15105    63.13160
   36    30 S   CO3  _C3_    29     1.52974   114.02825   174.09283
   37    36 S   O2Z  _O31    30     1.26384   116.05656    -0.23239
   38    36 S   O2Z  _O32    31     1.26422   114.42041   179.81762
   39    33 S   CT   _C22    39     1.54990   112.20795  -173.78246
   40    39 S   HC   _H8_    40     1.09949   108.26162    50.07907
   41    39 S   CM   _C23    41     1.53341   110.78959   167.02694
   42    39 S   CT   _C21   102     1.54751   112.28988   -67.42772
   43    42 S   HC   _H34   103     1.09382   110.93535    44.73475
   44    42 S   HC   _H35   104     1.09871   109.13783   161.06577
   45    41 S   CM   _C24    42     1.35489   123.05957   111.86876
   46    45 S   CT   _C25    43     1.51502   121.74713   173.91669
   47    46 S   HC   _H36    44     1.09713   108.49475   108.07664
   48    46 S   HC   _H37    45     1.09687   109.70367  -135.18557
   49    45 S   CT   _C19    56     1.52614   122.36328    -1.08679
   50    49 S   HC   _H6_    57     1.10161   104.76421   100.39325
   51    46 S   CT   _C26    46     1.52802   114.58956   -14.24870
   52    51 S   HC   _H38    47     1.09645   108.68825   165.64415
   53    51 S   HC   _H39    48     1.09730   109.56684   -77.36961
   54    49 S   CT   _C18    58     1.54709   115.33751  -143.49492
   55    54 S   HC   _H32    59     1.09647   109.89871    59.11113
   56    54 S   HC   _H33    60     1.09630   110.36584   -57.66458
   57    51 S   CT   _C27    49     1.51892   111.26836    43.94286
   58    57 S   HC   _H9_    50     1.09574   109.76093  -179.01226
   59    54 S   CT   _C17    61     1.54408   112.69609  -177.60984
   60    59 S   HC   _H30    62     1.09770   108.48821    67.98553
   61    59 S   HC   _H31    63     1.09369   108.10130  -177.03641
   62    41 S   CT   _C28    51     1.52132   114.93881   -72.28499
   63    62 S   HC   _H40    52     1.09763   107.32676   -67.71166
   64    62 S   HC   _H41    53     1.09407   110.10460    48.71984
   65    57 S   OH   _O33    54     1.42662   109.16630    63.89077
   66    65 S   HO   _H42    55     0.97225   107.64662   179.24153
   67    59 S   CT   _C16    64     1.54101   112.55028   -53.66262
   68    67 S   CT   _C15    65     1.55427   107.02821    54.32520
   69    68 S   HC   _H5_    66     1.10304   108.37420    57.06210
   70    67 S   CT   _C30   105     1.54854   109.29594   -69.76012
   71    70 S   HC   _H45   106     1.09331   112.43773  -177.95283
   72    70 S   HC   _H46   107     1.09279   112.92250    60.89783
   73    70 S   HC   _H47   108     1.09520   110.82647   -58.23368
   74    68 S   CT   _C14    67     1.51929   103.93322   169.32379
   75    74 S   HC   _H28    68     1.09474   112.11056  -155.66106
   76    74 S   HC   _H29    69     1.09505   111.60823    83.64788
   77    49 S   CT   _C20   100     1.55015   112.33327   -16.36517
   78    77 S   HC   _H7_   101     1.09478   109.42202   -69.35871
   79    74 S   CT   _C13    70     1.53489   103.75317   -35.56113
   80    79 S   HC   _H26    71     1.09497   109.32405   130.14849
   81    79 S   HC   _H27    72     1.09569   110.69545  -111.67541
   82    67 S   CT   _C12    73     1.56095   116.36861   163.89984
   83    82 S   HC   _H4_    74     1.09949   107.05162   -42.40636
   84    82 S   CT   _C5_    75     1.55285   119.31406    80.01693
   85    84 S   HC   _H3_    76     1.09793   108.42161    57.69475
   86    84 S   CT   _C4_    77     1.53170   112.64819   -60.52824
   87    86 S   HC   _H10    78     1.09458   111.70826   -47.82959
   88    86 S   HC   _H11    79     1.09258   111.08394    73.26409
   89    86 S   HC   _H12    80     1.09556   111.10730  -168.56012
   90    84 S   CT   _C6_    81     1.55161   113.06292   174.21155
   91    90 S   HC   _H13    82     1.09829   108.33168  -176.31836
   92    90 S   HC   _H14    83     1.09667   109.52832   -61.83364
   93    90 S   CT   _C7_    84     1.53371   115.24532    61.57286
   94    93 S   HC   _H15    85     1.09535   110.10142    57.74244
   95    93 S   HC   _H16    86     1.09369   109.57580   -60.39443
   96    93 S   CT   _C8_    87     1.53334   110.94452   178.70684
   97    96 S   HC   _H17    88     1.09758   109.35031    61.88622
   98    96 S   HC   _H18    89     1.09770   108.66447   -54.13848
   99    96 S   CT   _C9_    90     1.54006   113.48092  -175.21419
  100    99 S   HC   _H19    91     1.09737   108.70822    56.29787
  101    99 S   CT   _C10    92     1.52941   112.49088   -63.55208
  102   101 S   HC   _H20    93     1.09522   111.25800   -55.82619
  103   101 S   HC   _H21    94     1.09546   110.75248  -175.89263
  104   101 S   HC   _H22    95     1.09409   111.38643    64.99597
  105    99 S   CT   _C11    96     1.53076   109.78865   173.99985
  106   105 S   HC   _H23    97     1.09539   111.28437    61.95435
  107   105 S   HC   _H24    98     1.09521   110.83627  -177.79149
  108   105 S   HC   _H25    99     1.09516   110.83611   -58.32310
  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   7   5   4   3
  11   5   4   2   1   1  15   7  18  13   5   4  19  13   6   5
  15   7   9   5   4  11   6   5   6   5  15   5   4   4   2   1
   1   1  20  16   8   9   3   2   1  10   6   5   3   1   8   4
   3  11   4  12   8   7   3   2   1   9   5   4   9   5   4  12
   5   4   9   8   7   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    45    62    77    42    43    44  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    45    46    57    62    63    64    49    68    77    78    42    43    44  
   41    45    62    77    42    43    44  
   45    46    47    48    51    57    58    62    63    64    65    49    50    54    77    42    43    44  
   43    44    45    49    50    54    62    67    68    69    74    77    78  
   44    49    68    77    78  
   49    68    77    78  
   46    47    48    51    52    53    57    62    63    64    49    50    54    55    56    59    68    77    78  
   47    48    51    52    53    57    58    62    65    49    50    54    77  
   48    51    52    53    57    49  
   51    52    53    57    49  
   50    54    55    56    59    60    61    67    68    69    74    77    78    51    62  
   54    55    56    59    68    77    78  
   52    53    57    58    62    63    64    65    66  
   53    57    58    62    65  
   57    58    62    65  
   55    56    59    60    61    67    68    82    77    78    70  
   56    59    60    61    67    77  
   59    60    61    67    77  
   58    62    63    64    65    66  
   62    63    64    65    66  
   60    61    67    68    69    74    79    82    83    84    77    70    71    72    73  
   61    67    68    82    70  
   67    68    82    70  
   63    64    65    66  
   64    65  
   65  
   66  
    0  
   68    69    74    75    76    79    80    81    82    83    84    85    86    90    77    78    70    71    72    73  
   69    74    75    76    79    80    81    82    83    84    77    78    70    71    72    73  
   74    75    76    79    82    77    78    70  
   71    72    73    74    77    79    82    83    84  
   72    73    82  
   73    82  
   82  
   75    76    79    80    81    82    83    84    77    78  
   76    79    80    81    82    77  
   79    80    81    82    77  
   78    79    82  
    0  
   80    81    82    83    84    85    86    90  
   81    82    83    84  
   82    83    84  
   83    84    85    86    87    88    89    90    91    92    93  
   84    85    86    90  
   85    86    87    88    89    90    91    92    93    94    95    96  
   86    87    88    89    90    91    92    93  
   87    88    89    90    91    92    93  
   88    89    90  
   89    90  
   90  
   91    92    93    94    95    96    97    98    99  
   92    93    94    95    96  
   93    94    95    96  
   94    95    96    97    98    99   100   101   105  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99   100   101   102   103   104   105   106   107   108  
   98    99   100   101   105  
   99   100   101   105  
  100   101   102   103   104   105   106   107   108  
  101   102   103   104   105   106   107   108  
  102   103   104   105   106   107   108  
  103   104   105  
  104   105  
  105  
  106   107   108  
  107   108  
  108  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  108   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.510
   39    42   268.000  1.529
   41    45   549.000  1.340
   41    62   317.000  1.510
   45    46   317.000  1.510
   45    49   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   65    66   553.000  0.945
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    77   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   268.000  1.529
   67    82   268.000  1.529
   67    70   268.000  1.529
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    90   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   268.000  1.529
   99   105   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   77    78   340.000  1.090
   77    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  112.02700
   33    39    42    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    45    70.00000  124.00000
   39    41    62    65.00000  117.92700
   39    42    77    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    45    46    70.00000  124.00000
   41    45    49    70.00000  124.00000
   41    62    57    70.00000  112.02700
   41    62    63    35.00000  109.50000
   41    62    64    35.00000  109.50000
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    51    70.00000  112.02700
   45    49    50    35.00000  109.50000
   45    49    54    70.00000  112.02700
   45    49    77    70.00000  112.02700
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    57    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    62    58.35000  112.70000
   51    57    65    50.00000  109.50000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    65    66    55.00000  108.50000
   62    41    45    70.00000  124.00000
   62    57    58    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    57    58    35.00000  109.50000
   65    57    62    50.00000  109.50000
   49    45    46    65.00000  117.92700
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    59    58.35000  112.70000
   49    77    68    58.35000  112.70000
   49    77    78    37.50000  110.70000
   49    77    42    58.35000  112.70000
   54    49    50    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    67    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    67    68    58.35000  112.70000
   59    67    82    58.35000  112.70000
   59    67    70    58.35000  112.70000
   61    59    60    33.00000  107.80000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    74    58.35000  112.70000
   67    68    77    58.35000  112.70000
   67    82    79    58.35000  112.70000
   67    82    83    37.50000  110.70000
   67    82    84    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    79    58.35000  112.70000
   68    77    78    37.50000  110.70000
   68    77    42    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    58.35000  112.70000
   76    74    75    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    67    68    58.35000  112.70000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    84    85    37.50000  110.70000
   82    84    86    58.35000  112.70000
   82    84    90    58.35000  112.70000
   84    82    83    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    88    37.50000  110.70000
   84    86    89    37.50000  110.70000
   84    90    91    37.50000  110.70000
   84    90    92    37.50000  110.70000
   84    90    93    58.35000  112.70000
   86    84    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    84    85    37.50000  110.70000
   90    84    86    58.35000  112.70000
   90    93    94    37.50000  110.70000
   90    93    95    37.50000  110.70000
   90    93    96    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   96    99   100    37.50000  110.70000
   96    99   101    58.35000  112.70000
   96    99   105    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   101   102    37.50000  110.70000
   99   101   103    37.50000  110.70000
   99   101   104    37.50000  110.70000
   99   105   106    37.50000  110.70000
   99   105   107    37.50000  110.70000
   99   105   108    37.50000  110.70000
  101    99   100    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105    99   100    37.50000  110.70000
  105    99   101    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   77    49    50    37.50000  110.70000
   77    49    54    58.35000  112.70000
   77    68    69    37.50000  110.70000
   77    68    74    58.35000  112.70000
   77    42    43    37.50000  110.70000
   77    42    44    37.50000  110.70000
   42    39    40    37.50000  110.70000
   42    39    41    70.00000  112.02700
   42    77    78    37.50000  110.70000
   44    42    43    33.00000  107.80000
   70    67    68    58.35000  112.70000
   70    67    82    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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
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   90    84    86    87   0.15000  1.0 3.0
   90    84    86    88   0.15000  1.0 3.0
   90    84    86    89   0.15000  1.0 3.0
   90    93    96    97   0.15000  1.0 3.0
   90    93    96    98   0.15000  1.0 3.0
   90    93    96    99   0.56750  1.0 1.0
   90    93    96    99  -0.07550 -1.0 2.0
   90    93    96    99   0.20000  1.0 3.0
   91    90    93    94   0.15000  1.0 3.0
   91    90    93    95   0.15000  1.0 3.0
   91    90    93    96   0.15000  1.0 3.0
   92    90    93    94   0.15000  1.0 3.0
   92    90    93    95   0.15000  1.0 3.0
   92    90    93    96   0.15000  1.0 3.0
   93    96    99   100   0.15000  1.0 3.0
   93    96    99   101   0.56750  1.0 1.0
   93    96    99   101  -0.07550 -1.0 2.0
   93    96    99   101   0.20000  1.0 3.0
   93    96    99   105   0.56750  1.0 1.0
   93    96    99   105  -0.07550 -1.0 2.0
   93    96    99   105   0.20000  1.0 3.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96    99   0.15000  1.0 3.0
   95    93    96    97   0.15000  1.0 3.0
   95    93    96    98   0.15000  1.0 3.0
   95    93    96    99   0.15000  1.0 3.0
   96    99   101   102   0.15000  1.0 3.0
   96    99   101   103   0.15000  1.0 3.0
   96    99   101   104   0.15000  1.0 3.0
   96    99   105   106   0.15000  1.0 3.0
   96    99   105   107   0.15000  1.0 3.0
   96    99   105   108   0.15000  1.0 3.0
   97    96    99   100   0.15000  1.0 3.0
   97    96    99   101   0.15000  1.0 3.0
   97    96    99   105   0.15000  1.0 3.0
   98    96    99   100   0.15000  1.0 3.0
   98    96    99   101   0.15000  1.0 3.0
   98    96    99   105   0.15000  1.0 3.0
  100    99   101   102   0.15000  1.0 3.0
  100    99   101   103   0.15000  1.0 3.0
  100    99   101   104   0.15000  1.0 3.0
  100    99   105   106   0.15000  1.0 3.0
  100    99   105   107   0.15000  1.0 3.0
  100    99   105   108   0.15000  1.0 3.0
  101    99   105   106   0.15000  1.0 3.0
  101    99   105   107   0.15000  1.0 3.0
  101    99   105   108   0.15000  1.0 3.0
  105    99   101   102   0.15000  1.0 3.0
  105    99   101   103   0.15000  1.0 3.0
  105    99   101   104   0.15000  1.0 3.0
   77    49    54    55   0.15000  1.0 3.0
   77    49    54    56   0.15000  1.0 3.0
   77    49   -54    59   0.56750  1.0 1.0
   77    49   -54    59  -0.07550 -1.0 2.0
   77    49   -54    59   0.20000  1.0 3.0
   77    68    74    75   0.15000  1.0 3.0
   77    68    74    76   0.15000  1.0 3.0
   77    68    74    79   0.56750  1.0 1.0
   77    68    74    79  -0.07550 -1.0 2.0
   77    68    74    79   0.20000  1.0 3.0
   78    77    42    39   0.15000  1.0 3.0
   78    77    42    43   0.15000  1.0 3.0
   78    77    42    44   0.15000  1.0 3.0
   42    39   -41    45   0.09850  1.0 1.0
   42    39   -41    45   0.15250 -1.0 2.0
   42    39   -41    45  -0.50650  1.0 3.0
   42    39    41    62   0.46850  1.0 1.0
   42    39    41    62   0.08550 -1.0 2.0
   42    39    41    62   0.09800  1.0 3.0
   70    67    68    69   0.15000  1.0 3.0
   70    67    68    74   0.56750  1.0 1.0
   70    67    68    74  -0.07550 -1.0 2.0
   70    67    68    74   0.20000  1.0 3.0
   70    67    68    77   0.56750  1.0 1.0
   70    67    68    77  -0.07550 -1.0 2.0
   70    67    68    77   0.20000  1.0 3.0
   70    67    82    79   0.56750  1.0 1.0
   70    67    82    79  -0.07550 -1.0 2.0
   70    67    82    79   0.20000  1.0 3.0
   70    67    82    83   0.15000  1.0 3.0
   70    67    82    84   0.56750  1.0 1.0
   70    67    82    84  -0.07550 -1.0 2.0
   70    67    82    84   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    62    41    45   1.10000 -1.0 2.0
   46    49    45    41   1.10000 -1.0 2.0
END
