* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    221    365     678
    1     0 S   NP   _N1_     1    28.88627    97.70506   -20.34552
    2     1 S   H    _HN1     2     1.02949    81.83052    49.61716
    3     1 S   H    _H1_     3     1.02842    49.60194   170.12383
    4     1 S   H    _H2_     4     1.02778    76.53338   -61.62758
    5     1 S   CT   _CA1     5     1.50226   160.06647   179.24853
    6     5 S   HC   _HA1     6     1.09572   105.07279    51.87125
    7     5 S   CO3  _C1_     7     1.53958   112.60061   -67.86169
    8     7 S   O2Z  _O11     8     1.26411   115.12355   -32.29214
    9     7 S   O2Z  _O12     9     1.26225   115.08452   146.78717
   10     5 S   CT   _CB1    10     1.53201   107.35212   169.77948
   11    10 S   HC   HB11    11     1.09814   109.48972   -47.23241
   12    10 S   HC   HB12    12     1.09795   110.19788    69.32371
   13    10 S   CT   _CG1    13     1.53001   112.79755  -168.27091
   14    13 S   HC   HG11    14     1.09536   110.29634   -62.66800
   15    13 S   HC   HG12    15     1.09646   110.02822    56.36950
   16    13 S   C    _CD1    16     1.51983   112.68521   176.72177
   17    16 S   O    _OE1    17     1.22677   123.34250    -7.60001
   18    16 S   N    _N2_    18     1.38552   111.38758   172.72454
   19    18 S   H    _HN2    19     1.01597   118.73673     0.89613
   20    18 S   CT1  _CA2    20     1.46319   124.09918  -178.79244
   21    20 S   HC   _HA2    21     1.09732   109.38209   -15.29928
   22    20 S   C    _C2_    22     1.53538   107.80713  -130.61818
   23    22 S   O    _O2_    23     1.22984   122.45414  -145.62263
   24    20 S   CT   _CB2    32     1.53674   111.11872   107.29798
   25    24 S   HC   HB21    33     1.09396   109.41894    48.11696
   26    24 S   HC   HB22    34     1.09482   110.43773   166.82504
   27    22 S   N    _N3_    24     1.38584   113.25786    41.83949
   28    27 S   H    _HN3    25     1.01524   118.86902    -0.63056
   29    24 S   S    _SG2    35     1.83343   111.22938   -74.91509
   30    27 S   CT   _CA3    26     1.45455   123.52697   175.10811
   31    30 S   HC   HA31    27     1.09516   109.31761    22.54743
   32    30 S   HC   HA32    28     1.09496   107.08623   139.57341
   33    29 S   CT   _C14    36     1.87203   103.52298   152.34436
   34    30 S   CO3  _C3_    29     1.52927   113.12581  -100.98821
   35    34 S   O2Z  _O31    30     1.26403   115.42904   -43.24809
   36    34 S   O2Z  _O32    31     1.26359   114.96808   137.71391
   37    33 S   CM   _C15    37     1.52403   108.07458    36.31708
   38    37 S   HC   _H20    38     1.08893   117.22478  -102.17140
   39    33 S   CT   _C13    55     1.57867   112.64346   151.65680
   40    39 S   HC   _H5_    56     1.10207   103.76780  -177.45493
   41    37 S   CMA  _C16    39     1.35223   124.82890    80.26709
   42    41 S   OM   _O34    40     1.26023   128.65602   177.00827
   43    39 S   CT   _C12    57     1.54877   113.77302    72.13805
   44    43 S   HC   _H18    58     1.09447   110.50625   -69.97255
   45    43 S   HC   _H19    59     1.09665   109.52713   173.35495
   46    41 S   CT   _C17    41     1.54998   116.31178    -8.24898
   47    46 S   HC   _H6_    42     1.10164   103.52819   -69.42351
   48    43 S   CT   _C11    60     1.54240   113.36353    53.56012
   49    48 S   HC   _H16    61     1.09704   108.88800    67.94505
   50    48 S   HC   _H17    62     1.09395   107.86742  -177.54091
   51    46 S   CT   _C22    43     1.55760   117.93826   178.77427
   52    51 S   HC   _H25    44     1.09774   111.52729    43.74051
   53    51 S   HC   _H26    45     1.09858   109.19027   157.08173
   54    48 S   CT   _C10    63     1.54148   112.17565   -54.71539
   55    51 S   CT   _C21    46     1.52310   113.84145   -81.41643
   56    55 S   HC   _H7_    47     1.09535   110.97570    65.76497
   57    54 S   CT   _C6_    64     1.57509   115.68548   165.23117
   58    57 S   HC   _H4_    65     1.09833   107.63285   -41.93554
   59    54 S   CT   _C24   102     1.54845   108.36370   -72.45881
   60    59 S   HC   _H31   103     1.09191   112.33788   175.84848
   61    59 S   HC   _H32   104     1.08951   113.54460    52.73539
   62    59 S   HC   _H33   105     1.09466   111.20550   -64.23850
   63    55 S   CT   _C20    48     1.51999   110.58129   -56.33069
   64    63 S   HC   _H23    49     1.09668   110.49637   -66.49058
   65    63 S   HC   _H24    50     1.09722   109.44737   178.13628
   66    57 S   CT   _C7_    66     1.55730   102.54957  -155.26780
   67    66 S   HC   _H12    67     1.09585   111.92787  -101.05917
   68    66 S   HC   _H13    68     1.09601   110.10793   139.38572
   69    57 S   CT   _C5_    75     1.55726   119.99298    79.95226
   70    69 S   HC   _H3_    76     1.09616   108.48705    55.39544
   71    55 S   OH   _O33   110     1.42535   109.47701  -175.75818
   72    71 S   HO   _H27   111     0.97263   107.13495   -59.93077
   73    63 S   CT   _C19    51     1.52281   110.89624    56.92747
   74    73 S   HC   _H21    52     1.09847   107.09641    65.72691
   75    73 S   HC   _H22    53     1.09694   108.68322  -179.96574
   76    66 S   CT   _C8_    69     1.53990   107.84703    18.64589
   77    76 S   HC   _H14    70     1.09500   110.11831   132.96453
   78    76 S   HC   _H15    71     1.09090   108.58778  -109.10190
   79    69 S   CT   _C4_    77     1.53555   112.22203   -61.78793
   80    79 S   HC   _H9_    78     1.09476   111.50029   -48.92120
   81    79 S   HC   _H10    79     1.09215   111.22310    71.94111
   82    79 S   HC   _H11    80     1.09490   111.63091  -169.78760
   83    69 S   CT   _C25    81     1.55860   113.01488   172.14705
   84    83 S   HC   _H8_    82     1.09490   109.96139   -54.67951
   85    46 S   CT   _C18    54     1.58135   112.76979    45.85678
   86    33 S   CT   _C9_    72     1.57882   112.31276   -88.46074
   87    83 S   CT   _C26    83     1.53759   114.51563    68.24361
   88    87 S   HC   _H35    84     1.09504   109.40337    64.75021
   89    87 S   HC   _H36    85     1.09310   109.63646   -53.59632
   90    83 S   OH   _O37   100     1.43192   108.85246  -170.23807
   91    90 S   HO   _H46   101     0.97620   107.07303    61.07998
   92    86 S   OH   _O35    73     1.46146   106.34706   174.41977
   93    92 S   HO   _H34    74     0.97155   108.65297   -70.03523
   94    87 S   CT   _C27    86     1.53618   111.76602  -175.00464
   95    94 S   HC   _H37    87     1.09877   109.13783    55.43899
   96    94 S   HC   _H38    88     1.09836   109.57688   -58.90769
   97    85 S   CT   _C23   106     1.55050   108.84211  -152.85451
   98    97 S   HC   _H28   107     1.09355   111.57261    66.97363
   99    97 S   HC   _H29   108     1.09356   112.42568   -52.97651
  100    97 S   HC   _H30   109     1.09510   111.74825  -172.26835
  101    94 S   CT   _C28    89     1.54229   115.47778   178.18328
  102   101 S   CT   _C29    90     1.53017   112.22581    62.23952
  103   102 S   HC   _H39    91     1.09585   110.75897    54.40722
  104   102 S   HC   _H40    92     1.09626   110.82348   172.15953
  105   102 S   HC   _H41    93     1.09410   112.15461   -67.11951
  106   101 S   CT   _C30    94     1.53039   112.25766   -63.02499
  107   106 S   HC   _H42    95     1.09586   110.76229   -54.16475
  108   106 S   HC   _H43    96     1.09629   110.80758  -171.89770
  109   106 S   HC   _H44    97     1.09400   112.21247    67.39400
  110   101 S   OH   _O36    98     1.43458   106.25905   179.64502
  111   110 S   HO   _H45    99     0.97239   108.07345  -179.77883
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  24   2   1   1  14   5  24   9  11   4  13   6   5  16   7  15
   5   4  12   6   5  19  10   6  23  10   8   3   2   1   9   6
   5  11   6   5  15   8   2   1   7   3   2   5   3   2   7   3
   2   1  10   6   5   2  11   6   5   2   1   1   1  13   5   4
   3   2   1   1  10   9   4   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    86    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    85    39    40    43    54    76    86    92  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    73    85    39    40    43    44    45    48    54    57    66    76    77    78    86    92    93    59    97  
   35    36  
   36  
    0  
   38    41    42    46    47    51    85    39    40    43    54    76    86    92  
   41    42    46    39    86  
   40    43    44    45    48    49    50    54    76    86    92    97    98    99   100    41    46    47    51    63    73    74    75    85  
   43    44    45    48    86    97    46    73    85  
   42    46    47    51    52    53    55    73    85    86    97  
   46    47    51    85  
   44    45    48    49    50    54    57    86    59    97    46    73    85  
   45    48    49    50    54    85  
   48    49    50    54    85  
   47    51    52    53    55    56    63    73    74    75    85    97    98    99   100    71  
   51    52    53    55    73    85    97  
   49    50    54    57    58    66    76    86    92    69    59    60    61    62    85  
   50    54    57    86    59  
   54    57    86    59  
   52    53    55    56    63    64    65    73    85    97    71    72  
   53    55    56    63    85    71  
   55    56    63    85    71  
   57    58    66    67    68    76    77    78    86    92    93    69    70    79    83    59    60    61    62  
   56    63    64    65    73    74    75    85    71    72  
   63    64    65    73    71    72  
   58    66    67    68    76    77    78    86    92    69    70    79    80    81    82    83    84    87    90    59    60    61    62  
   66    67    68    76    86    69    70    79    83    59  
   60    61    62    66    69    76    86    92  
   61    62    86  
   62    86  
   86  
   64    65    73    74    75    85    97    71    72  
   65    73    74    75    85    71  
   73    74    75    85    71  
   67    68    76    77    78    86    92    69    70    79    83  
   68    76    77    78    86    69  
   76    77    78    86    69  
   70    79    80    81    82    83    84    87    88    89    94    90    91    76    86  
   79    80    81    82    83    84    87    90  
   72    73  
    0  
   74    75    85    97    98    99   100  
   75    85    97  
   85    97  
   77    78    86    92    93  
   78    86    92  
   86    92  
   80    81    82    83    84    87    90  
   81    82    83  
   82    83  
   83  
   84    87    88    89    94    95    96   101    90    91  
   87    88    89    94    90    91  
   86    97    98    99   100  
   92    93  
   88    89    94    95    96   101   102   106   110    90    91  
   89    94    95    96   101    90  
   94    95    96   101    90  
   91    94  
    0  
   93  
    0  
   95    96   101   102   103   104   105   106   107   108   109   110   111  
   96   101   102   106   110  
  101   102   106   110  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   105   106   107   108   109   110   111  
  103   104   105   106   107   108   109   110   111  
  104   105   106   110  
  105   106   110  
  106   110  
  107   108   109   110   111  
  108   109   110  
  109   110  
  110  
  111  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.375100   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  111   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    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  1.510
   33    39   268.000  1.529
   33    86   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    85   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    71   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    85   268.000  1.529
   85    39   268.000  1.529
   85    97   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    57   268.000  1.529
   54    86   268.000  1.529
   54    59   268.000  1.529
   57    58   340.000  1.090
   57    66   268.000  1.529
   57    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    86   268.000  1.529
   86    92   320.000  1.410
   92    93   553.000  0.945
   69    70   340.000  1.090
   69    79   268.000  1.529
   69    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    87   268.000  1.529
   83    90   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   268.000  1.529
  101   102   268.000  1.529
  101   106   268.000  1.529
  101   110   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   553.000  0.945
   90    91   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   71    72   553.000  0.945
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  112.20000
   29    33    39    75.00000  111.63000
   29    33    86    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    39    85    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    86    54    58.35000  112.70000
   33    86    76    58.35000  112.70000
   33    86    92    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    46    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    46    47    45.00000  110.52000
   41    46    51    70.00000  112.02700
   41    46    85    70.00000  112.02700
   46    41    42    85.00000  112.85300
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    55    58.35000  112.70000
   46    85    73    58.35000  112.70000
   46    85    39    58.35000  112.70000
   46    85    97    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    63    58.35000  112.70000
   51    55    71    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    73    58.35000  112.70000
   55    71    72    55.00000  108.50000
   63    55    56    37.50000  110.70000
   63    73    74    37.50000  110.70000
   63    73    75    37.50000  110.70000
   63    73    85    58.35000  112.70000
   65    63    64    33.00000  107.80000
   73    63    64    37.50000  110.70000
   73    63    65    37.50000  110.70000
   73    85    39    58.35000  112.70000
   73    85    97    58.35000  112.70000
   75    73    74    33.00000  107.80000
   85    46    47    37.50000  110.70000
   85    46    51    58.35000  112.70000
   85    73    74    37.50000  110.70000
   85    73    75    37.50000  110.70000
   85    39    40    37.50000  110.70000
   85    39    43    58.35000  112.70000
   85    97    98    37.50000  110.70000
   85    97    99    37.50000  110.70000
   85    97   100    37.50000  110.70000
   39    33    37    70.00000  112.02700
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    54    57    58.35000  112.70000
   48    54    86    58.35000  112.70000
   48    54    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    66    58.35000  112.70000
   54    57    69    58.35000  112.70000
   54    86    76    58.35000  112.70000
   54    86    92    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    76    58.35000  112.70000
   57    69    70    37.50000  110.70000
   57    69    79    58.35000  112.70000
   57    69    83    58.35000  112.70000
   66    57    58    37.50000  110.70000
   66    76    77    37.50000  110.70000
   66    76    78    37.50000  110.70000
   66    76    86    58.35000  112.70000
   68    66    67    33.00000  107.80000
   76    66    67    37.50000  110.70000
   76    66    68    37.50000  110.70000
   76    86    92    50.00000  109.50000
   78    76    77    33.00000  107.80000
   86    33    37    70.00000  112.02700
   86    33    39    58.35000  112.70000
   86    54    57    58.35000  112.70000
   86    76    77    37.50000  110.70000
   86    76    78    37.50000  110.70000
   86    92    93    55.00000  108.50000
   69    57    58    37.50000  110.70000
   69    57    66    58.35000  112.70000
   69    79    80    37.50000  110.70000
   69    79    81    37.50000  110.70000
   69    79    82    37.50000  110.70000
   69    83    84    37.50000  110.70000
   69    83    87    58.35000  112.70000
   69    83    90    50.00000  109.50000
   79    69    70    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    69    70    37.50000  110.70000
   83    69    79    58.35000  112.70000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    94    58.35000  112.70000
   83    90    91    55.00000  108.50000
   87    83    84    37.50000  110.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94   101    58.35000  112.70000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   94   101   102    58.35000  112.70000
   94   101   106    58.35000  112.70000
   94   101   110    50.00000  109.50000
   96    94    95    33.00000  107.80000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  101   102   103    37.50000  110.70000
  101   102   104    37.50000  110.70000
  101   102   105    37.50000  110.70000
  101   106   107    37.50000  110.70000
  101   106   108    37.50000  110.70000
  101   106   109    37.50000  110.70000
  101   110   111    55.00000  108.50000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   101   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110   101   102    50.00000  109.50000
  110   101   106    50.00000  109.50000
   90    83    84    35.00000  109.50000
   90    83    87    50.00000  109.50000
   59    54    57    58.35000  112.70000
   59    54    86    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   97    85    39    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   71    55    56    35.00000  109.50000
   71    55    63    50.00000  109.50000
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
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   58    57    66    76   0.15000  1.0 3.0
   58    57    69    70   0.15000  1.0 3.0
   58    57    69    79   0.15000  1.0 3.0
   58    57    69    83   0.15000  1.0 3.0
   66    57    69    70   0.15000  1.0 3.0
   66    57    69    79   0.56750  1.0 1.0
   66    57    69    79  -0.07550 -1.0 2.0
   66    57    69    79   0.20000  1.0 3.0
   66    57    69    83   0.56750  1.0 1.0
   66    57    69    83  -0.07550 -1.0 2.0
   66    57    69    83   0.20000  1.0 3.0
   66    76    86    33   0.56750  1.0 1.0
   66    76    86    33  -0.07550 -1.0 2.0
   66    76    86    33   0.20000  1.0 3.0
   66    76   -86    54   0.56750  1.0 1.0
   66    76   -86    54  -0.07550 -1.0 2.0
   66    76   -86    54   0.20000  1.0 3.0
   66    76    86    92   0.86500  1.0 1.0
   66    76    86    92  -0.17500 -1.0 2.0
   66    76    86    92   0.20800  1.0 3.0
   67    66    76    77   0.15000  1.0 3.0
   67    66    76    78   0.15000  1.0 3.0
   67    66    76    86   0.15000  1.0 3.0
   68    66    76    77   0.15000  1.0 3.0
   68    66    76    78   0.15000  1.0 3.0
   68    66    76    86   0.15000  1.0 3.0
   76    86    92    93  -0.11600  1.0 1.0
   76    86    92    93  -0.09450 -1.0 2.0
   76    86    92    93   0.21250  1.0 3.0
   77    76    86    33   0.15000  1.0 3.0
   77    76    86    54   0.15000  1.0 3.0
   77    76    86    92   0.23400  1.0 3.0
   78    76    86    33   0.15000  1.0 3.0
   78    76    86    54   0.15000  1.0 3.0
   78    76    86    92   0.23400  1.0 3.0
   86    33    37    38   0.00000  1.0 1.0
   86    33    37    41   0.09850  1.0 1.0
   86    33    37    41   0.15250 -1.0 2.0
   86    33    37    41  -0.50650  1.0 3.0
   86    33    39    85   0.56750  1.0 1.0
   86    33    39    85  -0.07550 -1.0 2.0
   86    33    39    85   0.20000  1.0 3.0
   86    33    39    40   0.15000  1.0 3.0
   86    33   -39    43   0.56750  1.0 1.0
   86    33   -39    43  -0.07550 -1.0 2.0
   86    33   -39    43   0.20000  1.0 3.0
   86    54    57    58   0.15000  1.0 3.0
   86    54   -57    66   0.56750  1.0 1.0
   86    54   -57    66  -0.07550 -1.0 2.0
   86    54   -57    66   0.20000  1.0 3.0
   86    54    57    69   0.56750  1.0 1.0
   86    54    57    69  -0.07550 -1.0 2.0
   86    54    57    69   0.20000  1.0 3.0
   86    54    59    60   0.15000  1.0 3.0
   86    54    59    61   0.15000  1.0 3.0
   86    54    59    62   0.15000  1.0 3.0
   69    57    66    67   0.15000  1.0 3.0
   69    57    66    68   0.15000  1.0 3.0
   69    57    66    76   0.56750  1.0 1.0
   69    57    66    76  -0.07550 -1.0 2.0
   69    57    66    76   0.20000  1.0 3.0
   69    83    87    88   0.15000  1.0 3.0
   69    83    87    89   0.15000  1.0 3.0
   69    83    87    94   0.56750  1.0 1.0
   69    83    87    94  -0.07550 -1.0 2.0
   69    83    87    94   0.20000  1.0 3.0
   69    83    90    91  -0.11600  1.0 1.0
   69    83    90    91  -0.09450 -1.0 2.0
   69    83    90    91   0.21250  1.0 3.0
   70    69    79    80   0.15000  1.0 3.0
   70    69    79    81   0.15000  1.0 3.0
   70    69    79    82   0.15000  1.0 3.0
   70    69    83    84   0.15000  1.0 3.0
   70    69    83    87   0.15000  1.0 3.0
   70    69    83    90   0.23400  1.0 3.0
   79    69    83    84   0.15000  1.0 3.0
   79    69    83    87   0.56750  1.0 1.0
   79    69    83    87  -0.07550 -1.0 2.0
   79    69    83    87   0.20000  1.0 3.0
   79    69    83    90   0.86500  1.0 1.0
   79    69    83    90  -0.17500 -1.0 2.0
   79    69    83    90   0.20800  1.0 3.0
   83    69    79    80   0.15000  1.0 3.0
   83    69    79    81   0.15000  1.0 3.0
   83    69    79    82   0.15000  1.0 3.0
   83    87    94    95   0.15000  1.0 3.0
   83    87    94    96   0.15000  1.0 3.0
   83    87    94   101   0.56750  1.0 1.0
   83    87    94   101  -0.07550 -1.0 2.0
   83    87    94   101   0.20000  1.0 3.0
   84    83    87    88   0.15000  1.0 3.0
   84    83    87    89   0.15000  1.0 3.0
   84    83    87    94   0.15000  1.0 3.0
   84    83    90    91   0.19450  1.0 3.0
   87    83    90    91  -0.11600  1.0 1.0
   87    83    90    91  -0.09450 -1.0 2.0
   87    83    90    91   0.21250  1.0 3.0
   87    94   101   102   0.56750  1.0 1.0
   87    94   101   102  -0.07550 -1.0 2.0
   87    94   101   102   0.20000  1.0 3.0
   87    94   101   106   0.56750  1.0 1.0
   87    94   101   106  -0.07550 -1.0 2.0
   87    94   101   106   0.20000  1.0 3.0
   87    94   101   110   0.86500  1.0 1.0
   87    94   101   110  -0.17500 -1.0 2.0
   87    94   101   110   0.20800  1.0 3.0
   88    87    94    95   0.15000  1.0 3.0
   88    87    94    96   0.15000  1.0 3.0
   88    87    94   101   0.15000  1.0 3.0
   89    87    94    95   0.15000  1.0 3.0
   89    87    94    96   0.15000  1.0 3.0
   89    87    94   101   0.15000  1.0 3.0
   94   101   102   103   0.15000  1.0 3.0
   94   101   102   104   0.15000  1.0 3.0
   94   101   102   105   0.15000  1.0 3.0
   94   101   106   107   0.15000  1.0 3.0
   94   101   106   108   0.15000  1.0 3.0
   94   101   106   109   0.15000  1.0 3.0
   94   101   110   111  -0.11600  1.0 1.0
   94   101   110   111  -0.09450 -1.0 2.0
   94   101   110   111   0.21250  1.0 3.0
   95    94   101   102   0.15000  1.0 3.0
   95    94   101   106   0.15000  1.0 3.0
   95    94   101   110   0.23400  1.0 3.0
   96    94   101   102   0.15000  1.0 3.0
   96    94   101   106   0.15000  1.0 3.0
   96    94   101   110   0.23400  1.0 3.0
  102   101   106   107   0.15000  1.0 3.0
  102   101   106   108   0.15000  1.0 3.0
  102   101   106   109   0.15000  1.0 3.0
  102   101   110   111  -0.11600  1.0 1.0
  102   101   110   111  -0.09450 -1.0 2.0
  102   101   110   111   0.21250  1.0 3.0
  106   101   102   103   0.15000  1.0 3.0
  106   101   102   104   0.15000  1.0 3.0
  106   101   102   105   0.15000  1.0 3.0
  106   101   110   111  -0.11600  1.0 1.0
  106   101   110   111  -0.09450 -1.0 2.0
  106   101   110   111   0.21250  1.0 3.0
  110   101   102   103   0.23400  1.0 3.0
  110   101   102   104   0.23400  1.0 3.0
  110   101   102   105   0.23400  1.0 3.0
  110   101   106   107   0.23400  1.0 3.0
  110   101   106   108   0.23400  1.0 3.0
  110   101   106   109   0.23400  1.0 3.0
   90    83    87    88   0.23400  1.0 3.0
   90    83    87    89   0.23400  1.0 3.0
   90    83    87    94   0.86500  1.0 1.0
   90    83    87    94  -0.17500 -1.0 2.0
   90    83    87    94   0.20800  1.0 3.0
   59    54    57    58   0.15000  1.0 3.0
   59    54    57    66   0.56750  1.0 1.0
   59    54    57    66  -0.07550 -1.0 2.0
   59    54    57    66   0.20000  1.0 3.0
   59    54    57    69   0.56750  1.0 1.0
   59    54    57    69  -0.07550 -1.0 2.0
   59    54    57    69   0.20000  1.0 3.0
   59    54    86    33   0.56750  1.0 1.0
   59    54    86    33  -0.07550 -1.0 2.0
   59    54    86    33   0.20000  1.0 3.0
   59    54    86    76   0.56750  1.0 1.0
   59    54    86    76  -0.07550 -1.0 2.0
   59    54    86    76   0.20000  1.0 3.0
   59    54    86    92   0.86500  1.0 1.0
   59    54    86    92  -0.17500 -1.0 2.0
   59    54    86    92   0.20800  1.0 3.0
   97    85    39    33   0.56750  1.0 1.0
   97    85    39    33  -0.07550 -1.0 2.0
   97    85    39    33   0.20000  1.0 3.0
   97    85    39    40   0.15000  1.0 3.0
   97    85    39    43   0.56750  1.0 1.0
   97    85    39    43  -0.07550 -1.0 2.0
   97    85    39    43   0.20000  1.0 3.0
   71    55    63    64   0.23400  1.0 3.0
   71    55    63    65   0.23400  1.0 3.0
   71    55    63    73   0.86500  1.0 1.0
   71    55    63    73  -0.17500 -1.0 2.0
   71    55    63    73   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
END
