* LIGAND DATABASE FILE (OPLS2005)
*
001     114   116    210    325     617
    1     0 S   NP   _N1_     1    29.24352   100.81326   -20.13528
    2     1 S   H    _HN1     2     1.02789   116.01640  -129.08633
    3     1 S   H    _H1_     3     1.02862    50.58933   -36.25234
    4     1 S   H    _H2_     4     1.02957    57.11251   135.82934
    5     1 S   CT   _CA1     5     1.50550   131.84590    47.64082
    6     5 S   HC   _HA1     6     1.09693   104.59401   126.51443
    7     5 S   CO3  _C1_     7     1.54320   110.70809    10.64599
    8     7 S   O2Z  _O11     8     1.25991   116.68519  -115.58030
    9     7 S   O2Z  _O12     9     1.26582   113.72331    63.10768
   10     5 S   CT   _CB1    10     1.53103   106.97953  -117.47906
   11    10 S   HC   HB11    11     1.09851   109.81002   -42.55851
   12    10 S   HC   HB12    12     1.09769   110.29850    74.01873
   13    10 S   CT   _CG1    13     1.53106   112.49411  -163.05069
   14    13 S   HC   HG11    14     1.09522   111.10702   -62.03780
   15    13 S   HC   HG12    15     1.09675   109.62777    57.04435
   16    13 S   C    _CD1    16     1.51918   111.87439   177.51352
   17    16 S   O    _OE1    17     1.22790   123.19933    11.85576
   18    16 S   N    _N2_    18     1.38460   111.94315  -168.64102
   19    18 S   H    _HN2    19     1.01527   119.15704     3.91006
   20    18 S   CT1  _CA2    20     1.45922   122.88716   178.99556
   21    20 S   HC   _HA2    21     1.09710   108.84623    30.22654
   22    20 S   C    _C2_    22     1.53007   107.03117   -87.19257
   23    22 S   O    _O2_    23     1.23001   123.11164   -26.74044
   24    20 S   CT   _CB2    32     1.53182   112.08834   153.72052
   25    24 S   HC   HB21    33     1.09264   108.73437    56.51251
   26    24 S   HC   HB22    34     1.09461   110.25081   174.70250
   27    22 S   N    _N3_    24     1.38501   112.54323   156.00894
   28    27 S   H    _HN3    25     1.01663   120.29707    -1.53748
   29    24 S   S    _SG2    35     1.82687   111.29331   -65.47921
   30    27 S   CT   _CA3    26     1.45331   122.46038   178.32462
   31    30 S   HC   HA31    27     1.09571   107.67016   -58.30977
   32    30 S   HC   HA32    28     1.09564   107.72693    57.99971
   33    29 S   CT   _C11    36     1.87251   101.87300   154.80670
   34    33 S   OM   _O35    37     1.32159   108.70012  -175.19474
   35    30 S   CO3  _C3_    29     1.52883   114.36920   179.85196
   36    35 S   O2Z  _O31    30     1.26329   116.08661    -1.23353
   37    35 S   O2Z  _O32    31     1.26443   114.40344   178.79504
   38    33 S   CM   _C12    38     1.55334   108.09319    65.96233
   39    38 S   CO4  _C13    39     1.50891   111.76385   -95.26150
   40    39 S   O    _O33    40     1.23393   119.60430   129.33399
   41    38 S   CMA  _C14   102     1.38169   127.91722    80.17706
   42    41 S   OM   _O34   103     1.27037   128.58259    -0.89307
   43    39 S   CT   _C8_    41     1.54897   119.20460   -48.66486
   44    41 S   CA   _C15   104     1.50446   116.40190   179.17126
   45    43 S   CM   _C9_    42     1.52530   109.73938    39.15052
   46    43 S   CT   _C7_    74     1.58838   103.43721   156.97658
   47    46 S   HC   _H9_    75     1.09689   109.00733   -54.73798
   48    46 S   HC   _H10    76     1.10065   108.33788    58.09708
   49    43 S   CT   _C31    88     1.55771   109.46406   -86.59767
   50    49 S   HC   _H32    89     1.09211   108.65003  -158.47809
   51    49 S   HC   _H33    90     1.09822   108.67702   -43.54463
   52    44 S   CA   _C16   105     1.40347   120.75159   -84.21066
   53    52 S   HA   _H11   106     1.08600   120.46124     0.20558
   54    33 S   CM   _C10    43     1.55105   109.80901   -60.90253
   55    45 S   OH   _O37    72     1.38392   115.20149   167.53538
   56    55 S   HO   _H31    73     0.97093   108.26233    26.80436
   57    46 S   CM   _C6_    77     1.50855   119.53112   177.48845
   58    57 S   HC   _H8_    78     1.08894   114.52727   -72.51994
   59    49 S   CM   _C32    91     1.50787   116.66964    77.58952
   60    59 S   HC   _H34    92     1.08754   115.24484   -44.22409
   61    52 S   CA   _C17   107     1.39605   120.41487  -179.08208
   62    61 S   HA   _H12   108     1.08607   119.86030  -179.68973
   63    54 S   CT   _C21    44     1.54756   116.96914   -55.28083
   64    63 S   HC   _H16    45     1.09686   109.82306    -7.92251
   65    63 S   HC   _H17    46     1.09803   104.90828   103.04581
   66    57 S   CM   _C5_    79     1.34758   127.51620   110.39582
   67    59 S   CM   _C33    93     1.34759   127.75735   136.92703
   68    61 S   CA   _C18   109     1.39415   120.12147     0.69633
   69    68 S   HA   _H13   110     1.08603   119.98588   179.94405
   70    63 S   CT   _C22    47     1.54940   121.79107  -133.89378
   71    70 S   HC   _H3_    48     1.09371   111.22718   -54.39996
   72    66 S   CT   _C4_    80     1.50537   120.47520   177.61083
   73    72 S   HC   _H5_    81     1.09497   110.26492   119.01072
   74    72 S   HC   _H6_    82     1.09494   110.20643  -121.16433
   75    72 S   HC   _H7_    83     1.09509   112.41323    -1.09199
   76    66 S   CT   _C36    84     1.50391   125.15723    -3.21820
   77    76 S   HC   _H41    85     1.09472   110.08747   112.83826
   78    76 S   HC   _H42    86     1.09540   110.02233  -127.90172
   79    76 S   HC   _H43    87     1.09218   113.64711    -8.43894
   80    67 S   CT   _C34    94     1.50679   120.21224   179.48948
   81    80 S   HC   _H35    95     1.09480   110.28425   123.26261
   82    80 S   HC   _H36    96     1.09495   110.20094  -117.04889
   83    80 S   HC   _H37    97     1.09514   112.48277     3.13725
   84    67 S   CT   _C35    98     1.50236   125.67160     0.25717
   85    84 S   HC   _H38    99     1.09548   110.03420   127.07393
   86    84 S   HC   _H39   100     1.09495   109.99191  -113.74112
   87    84 S   HC   _H40   101     1.09153   113.80772     7.38910
   88    68 S   CA   _C19   111     1.39395   120.03076     0.37062
   89    88 S   HA   _H14   112     1.08597   120.07576   179.60435
   90    70 S   CT   _C23    49     1.55894   110.53116  -174.29020
   91    90 S   HC   _H4_    50     1.10073   107.10142   -47.74455
   92    44 S   CA   _C20   113     1.40608   120.27616    98.46835
   93    92 S   HA   _H15   114     1.08748   120.20030    -1.61834
   94    90 S   CT   _C24    51     1.54020   104.12256  -161.49765
   95    94 S   HC   _H18    52     1.09652   112.52866  -103.68503
   96    94 S   HC   _H19    53     1.09641   110.18650   136.83652
   97    90 S   CM   _C28    64     1.52111   119.16617    72.94809
   98    94 S   CT   _C25    54     1.53044   106.75010    16.69285
   99    98 S   HC   _H20    55     1.09536   110.68311   132.56615
  100    98 S   HC   _H21    56     1.09701   108.76954  -108.90477
  101    97 S   CM   _C29    65     1.34297   124.98612    11.65039
  102   101 S   HC   _H26    66     1.08547   121.18507  -179.55369
  103   101 S   HC   _H27    67     1.08342   122.51718     0.63704
  104    97 S   CT   _C30    68     1.50668   115.06407  -167.58360
  105   104 S   HC   _H28    69     1.09447   110.57634   -63.91663
  106   104 S   HC   _H29    70     1.09433   110.10394    55.98639
  107   104 S   HC   _H30    71     1.09523   112.29309   175.79695
  108    70 S   CT   _C26    57     1.54312   116.57641    70.14595
  109   108 S   CT   _C27    58     1.52157   114.68450   -75.56280
  110   109 S   HC   _H22    59     1.09158   111.41953    71.36566
  111   109 S   HC   _H23    60     1.09453   111.80403   -50.69935
  112   109 S   HC   _H24    61     1.09623   110.54084  -171.11303
  113   108 S   OH   _O36    62     1.42668   110.38833    48.49091
  114   113 S   HO   _H25    63     0.97182   108.22041  -174.20806
  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   8   5   4   3
  15   6   2   1   1  13  16   5  10   3  17   9  15  13   5   4
  10   4   3   8   4   9   2   1  10   3  10   3   6   3  12   5
   4   8   8   5   3  19   8   7   3   2   1   3   2   1   1   7
   3   2   1   3   2   1   1   3   2  18   8   1   1  11   6   5
   9   9   4   3   6   2   1   3   2   1   1   6   5   3   2   1
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    54    63    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    54    63    64    65    70    55    41    42    44  
   38    39    45    54    63    41  
   36    37  
   37  
    0  
   39    40    43    45    54    63    46    49    41    42    44    52    92  
   40    43    45    54    55    46    47    48    57    49    50    51    59    41    42    44  
   43    45    46    49    41  
   42    44    52    53    61    88    92    93    43    54  
   44    52    92  
   45    54    63    55    56    46    47    48    57    58    66    49    50    51    59    60    67  
   52    53    61    62    68    88    89    92    93  
   54    63    64    65    70    55    56    46    47    48    57    49    50    51    59  
   47    48    57    58    66    72    76    49    50    51    59    54    55  
   48    57    58    66    49  
   57    58    66    49  
   50    51    59    60    67    80    84    54    55    57  
   51    59    60    67  
   59    60    67  
   53    61    62    68    69    88    92    93  
   61    62    68    92  
   63    64    65    70    71    90   108    55    56  
   56    63  
    0  
   58    66    72    73    74    75    76    77    78    79  
   66    72    76  
   60    67    80    81    82    83    84    85    86    87  
   67    80    84  
   62    68    69    88    89    92  
   68    69    88  
   64    65    70    71    90    91    94    98   108   109   113    97  
   65    70    71    90   108  
   70    71    90   108  
   72    73    74    75    76    77    78    79  
   80    81    82    83    84    85    86    87  
   69    88    89    92    93  
   88    89    92  
   71    90    91    94    95    96    98    99   100   108   109   110   111   112   113   114    97   101   104  
   90    91    94    98   108   109   113    97  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    0  
   89    92    93  
   92    93  
   91    94    95    96    98    99   100   108   109   113    97   101   102   103   104   105   106   107  
   94    95    96    98   108    97   101   104  
   93  
    0  
   95    96    98    99   100   108   109   113    97   101   104  
   96    98    99   100   108    97  
   98    99   100   108    97  
  101   102   103   104   105   106   107    98   108  
   99   100   108   109   110   111   112   113   114  
  100   108   109   113  
  108   109   113  
  102   103   104   105   106   107  
  103   104  
  104  
  105   106   107  
  106   107  
  107  
    0  
  109   110   111   112   113   114  
  110   111   112   113   114  
  111   112   113  
  112   113  
  113  
  114  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0760   0.048800   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660  -0.060000   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  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
  108   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  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
  113   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  114   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   317.000  1.510
   33    54   317.000  1.510
   38    39   320.000  1.462
   38    41   465.000  1.376
   39    40   570.000  1.229
   39    43   317.000  1.522
   43    45   317.000  1.510
   43    46   268.000  1.529
   43    49   268.000  1.529
   45    54   549.000  1.340
   45    55   510.000  1.338
   54    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    90   268.000  1.529
   70   108   268.000  1.529
   90    91   340.000  1.090
   90    94   268.000  1.529
   90    97   317.000  1.510
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   108   268.000  1.529
  108   109   268.000  1.529
  108   113   320.000  1.410
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
  113   114   553.000  0.945
   97   101   549.000  1.340
   97   104   317.000  1.510
  101   102   340.000  1.080
  101   103   340.000  1.080
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   55    56   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    57   317.000  1.510
   57    58   340.000  1.080
   57    66   549.000  1.340
   66    72   317.000  1.510
   66    76   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    59   317.000  1.510
   59    60   340.000  1.080
   59    67   549.000  1.340
   67    80   317.000  1.510
   67    84   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   41    42   745.000  1.250
   41    44   320.000  1.460
   44    52   469.000  1.400
   44    92   469.000  1.400
   52    53   367.000  1.080
   52    61   469.000  1.400
   61    62   367.000  1.080
   61    68   469.000  1.400
   68    69   367.000  1.080
   68    88   469.000  1.400
   88    89   367.000  1.080
   88    92   469.000  1.400
   92    93   367.000  1.080
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    54    75.00000  112.20000
   33    38    39    65.00000  116.34900
   33    38    41    70.00000  124.00000
   33    54    45    70.00000  124.00000
   33    54    63    65.00000  117.92700
   38    33    34    85.00000  110.90400
   38    39    40    80.00000  123.72100
   38    39    43    65.00000  118.62400
   38    41    42    65.00000  137.10300
   38    41    44    60.00000  123.20500
   39    43    45    70.00000  109.06800
   39    43    46    63.00000  111.10000
   39    43    49    63.00000  111.10000
   43    39    40    80.00000  120.40000
   43    45    54    70.00000  124.00000
   43    45    55    90.00000  109.34000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    57    70.00000  112.02700
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    59    70.00000  112.02700
   45    54    63    70.00000  124.00000
   45    55    56    70.00000  107.45700
   54    33    34    85.00000  110.90400
   54    33    38    70.00000  110.12100
   54    63    64    35.00000  109.50000
   54    63    65    35.00000  109.50000
   54    63    70    70.00000  112.02700
   63    70    71    37.50000  110.70000
   63    70    90    58.35000  112.70000
   63    70   108    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    90    91    37.50000  110.70000
   70    90    94    58.35000  112.70000
   70    90    97    70.00000  112.02700
   70   108    98    58.35000  112.70000
   70   108   109    58.35000  112.70000
   70   108   113    50.00000  109.50000
   90    70    71    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    96    37.50000  110.70000
   90    94    98    58.35000  112.70000
   90    97   101    70.00000  124.00000
   90    97   104    65.00000  117.92700
   94    90    91    37.50000  110.70000
   94    98    99    37.50000  110.70000
   94    98   100    37.50000  110.70000
   94    98   108    58.35000  112.70000
   96    94    95    33.00000  107.80000
   98    94    95    37.50000  110.70000
   98    94    96    37.50000  110.70000
   98   108   109    58.35000  112.70000
   98   108   113    50.00000  109.50000
  100    98    99    33.00000  107.80000
  108    70    71    37.50000  110.70000
  108    70    90    58.35000  112.70000
  108    98    99    37.50000  110.70000
  108    98   100    37.50000  110.70000
  108   109   110    37.50000  110.70000
  108   109   111    37.50000  110.70000
  108   109   112    37.50000  110.70000
  108   113   114    55.00000  108.50000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
  113   108   109    50.00000  109.50000
   97    90    91    35.00000  109.50000
   97    90    94    70.00000  112.02700
   97   101   102    35.00000  120.00000
   97   101   103    35.00000  120.00000
   97   104   105    35.00000  109.50000
   97   104   106    35.00000  109.50000
   97   104   107    35.00000  109.50000
  103   101   102    35.00000  117.00000
  104    97   101    70.00000  124.00000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   55    45    54    80.00000  121.38400
   46    43    45    70.00000  112.02700
   46    57    58    35.00000  117.00000
   46    57    66    70.00000  124.00000
   48    46    47    33.00000  107.80000
   57    46    47    35.00000  109.50000
   57    46    48    35.00000  109.50000
   57    66    72    70.00000  124.00000
   57    66    76    70.00000  124.00000
   66    57    58    35.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   66    76    77    35.00000  109.50000
   66    76    78    35.00000  109.50000
   66    76    79    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    66    72    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   49    43    45    70.00000  112.02700
   49    43    46    58.35000  112.70000
   49    59    60    35.00000  117.00000
   49    59    67    70.00000  124.00000
   51    49    50    33.00000  107.80000
   59    49    50    35.00000  109.50000
   59    49    51    35.00000  109.50000
   59    67    80    70.00000  124.00000
   59    67    84    70.00000  124.00000
   67    59    60    35.00000  120.00000
   67    80    81    35.00000  109.50000
   67    80    82    35.00000  109.50000
   67    80    83    35.00000  109.50000
   67    84    85    35.00000  109.50000
   67    84    86    35.00000  109.50000
   67    84    87    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    67    80    65.00000  117.92700
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   41    38    39    60.00000  125.92000
   41    44    52    60.00000  120.93500
   41    44    92    60.00000  120.93500
   44    41    42    85.00000  114.86500
   44    52    53    35.00000  120.00000
   44    52    61    63.00000  120.00000
   44    92    88    63.00000  120.00000
   44    92    93    35.00000  120.00000
   52    61    62    35.00000  120.00000
   52    61    68    63.00000  120.00000
   61    52    53    35.00000  120.00000
   61    68    69    35.00000  120.00000
   61    68    88    63.00000  120.00000
   68    61    62    35.00000  120.00000
   68    88    89    35.00000  120.00000
   68    88    92    63.00000  120.00000
   88    68    69    35.00000  120.00000
   88    92    93    35.00000  120.00000
   92    44    52    63.00000  120.00000
   92    88    89    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
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   50    49    59    60   0.33100  1.0 3.0
   50    49    59    67   0.00000  1.0 1.0
   51    49    59    60   0.33100  1.0 3.0
   51    49    59    67   0.00000  1.0 1.0
   59    67    80    81   0.00000  1.0 1.0
   59    67    80    82   0.00000  1.0 1.0
   59    67    80    83   0.00000  1.0 1.0
   59    67    84    85   0.00000  1.0 1.0
   59    67    84    86   0.00000  1.0 1.0
   59    67    84    87   0.00000  1.0 1.0
   60    59    67    80   7.00000 -1.0 2.0
   60    59    67    84   7.00000 -1.0 2.0
   80    67    84    85   0.34800  1.0 3.0
   80    67    84    86   0.34800  1.0 3.0
   80    67    84    87   0.34800  1.0 3.0
   84    67    80    81   0.34800  1.0 3.0
   84    67    80    82   0.34800  1.0 3.0
   84    67    80    83   0.34800  1.0 3.0
   41    38    39    40   1.00000 -1.0 2.0
   41    38    39    43  -0.33500  1.0 1.0
   41    38    39    43   1.06600 -1.0 2.0
   41    38    39    43  -0.14000  1.0 3.0
   41    44    52    53   3.62500 -1.0 2.0
   41    44    52    61   3.62500 -1.0 2.0
   41    44    92    88   3.62500 -1.0 2.0
   41    44    92    93   3.62500 -1.0 2.0
   42    41    44    52  -0.01750  1.0 1.0
   42    41    44    52  -0.32000 -1.0 2.0
   42    41    44    52   0.00600  1.0 3.0
   42    41    44    92  -0.01750  1.0 1.0
   42    41    44    92  -0.32000 -1.0 2.0
   42    41    44    92   0.00600  1.0 3.0
   44    52    61    62   3.62500 -1.0 2.0
   44    52    61    68   3.62500 -1.0 2.0
   52    44    92    88   3.62500 -1.0 2.0
   52    44    92    93   3.62500 -1.0 2.0
   52    61    68    69   3.62500 -1.0 2.0
   52    61   -68    88   3.62500 -1.0 2.0
   53    52    61    62   3.62500 -1.0 2.0
   53    52    61    68   3.62500 -1.0 2.0
   61    68    88    89   3.62500 -1.0 2.0
   61    68    88    92   3.62500 -1.0 2.0
   62    61    68    69   3.62500 -1.0 2.0
   62    61    68    88   3.62500 -1.0 2.0
   68    88   -92    44   3.62500 -1.0 2.0
   68    88    92    93   3.62500 -1.0 2.0
   69    68    88    89   3.62500 -1.0 2.0
   69    68    88    92   3.62500 -1.0 2.0
   89    88    92    44   3.62500 -1.0 2.0
   89    88    92    93   3.62500 -1.0 2.0
   92    44    52    53   3.62500 -1.0 2.0
   92    44   -52    61   3.62500 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   38    43    39    40  10.50000 -1.0 2.0
   43    55    45    54   1.10000 -1.0 2.0
   33    63    54    45   1.10000 -1.0 2.0
   90   104    97   101  15.00000 -1.0 2.0
  102   103   101    97  15.00000 -1.0 2.0
   46    58    57    66  15.00000 -1.0 2.0
   72    76    66    57  15.00000 -1.0 2.0
   49    60    59    67  15.00000 -1.0 2.0
   80    84    67    59  15.00000 -1.0 2.0
   44    42    41    38   1.10000 -1.0 2.0
   52    92    44    41   4.00000 -1.0 2.0
   61    53    52    44   1.10000 -1.0 2.0
   68    62    61    52   1.10000 -1.0 2.0
   88    69    68    61   1.10000 -1.0 2.0
   92    89    88    68   1.10000 -1.0 2.0
   88    93    92    44   1.10000 -1.0 2.0
END
