* LIGAND DATABASE FILE (OPLS2005)
*
001     113   115    207    317     596
    1     0 S   NP   _N1_     1    30.17475    99.02261   -21.98813
    2     1 S   H    _HN1     2     1.02772   101.94604  -105.66555
    3     1 S   H    _H1_     3     1.02941    59.44541    -1.11592
    4     1 S   H    _H2_     4     1.02832    52.44673   150.80662
    5     1 S   CT   _CA1     5     1.50069   145.59513    80.50473
    6     5 S   HC   _HA1     6     1.09333   105.07116   112.31562
    7     5 S   CO3  _C1_     7     1.53930   112.61135    -8.25112
    8     7 S   O2Z  _O11     8     1.26395   114.93886   -33.92836
    9     7 S   O2Z  _O12     9     1.26212   115.20056   145.29011
   10     5 S   CT   _CB1    10     1.53001   107.62025  -129.68311
   11    10 S   HC   HB11    11     1.09819   109.88126   -44.66325
   12    10 S   HC   HB12    12     1.09814   110.18581    72.14981
   13    10 S   CT   _CG1    13     1.52987   112.40408  -165.46882
   14    13 S   HC   HG11    14     1.09465   110.55419   -59.21931
   15    13 S   HC   HG12    15     1.09650   110.00103    59.99885
   16    13 S   C    _CD1    16     1.51673   112.27822  -179.20771
   17    16 S   O    _OE1    17     1.22725   123.29809     0.33220
   18    16 S   N    _N2_    18     1.38625   111.61687   179.80218
   19    18 S   H    _HN2    19     1.01594   119.06403     3.50727
   20    18 S   CT1  _CA2    20     1.46034   123.24288  -177.76297
   21    20 S   HC   _HA2    21     1.09723   109.27597    -1.30266
   22    20 S   C    _C2_    22     1.53407   108.89221  -117.07250
   23    22 S   O    _O2_    23     1.23064   122.20274  -149.10944
   24    20 S   CT   _CB2    32     1.53365   111.66213   120.33245
   25    24 S   HC   HB21    33     1.09511   110.43031    62.99943
   26    24 S   HC   HB22    34     1.09568   109.96107  -179.62206
   27    22 S   N    _N3_    24     1.38310   113.72821    38.31610
   28    27 S   H    _HN3    25     1.01619   119.56719    -3.48582
   29    24 S   S    _SG2    35     1.83177   112.16273   -60.91963
   30    27 S   CT   _CA3    26     1.45289   123.08626   177.03780
   31    30 S   HC   HA31    27     1.09553   107.55537   -63.27821
   32    30 S   HC   HA32    28     1.09561   107.90657    53.11592
   33    29 S   CT   _C27    36     1.83646   100.19648   123.69659
   34    33 S   HC   _H6_    37     1.09626   107.27877    48.53705
   35    30 S   CO3  _C3_    29     1.52925   114.17171   175.11048
   36    35 S   O2Z  _O31    30     1.26358   116.07027     0.37325
   37    35 S   O2Z  _O32    31     1.26434   114.40339  -179.59314
   38    33 S   CM   _C26    38     1.50877   109.52936   -72.01295
   39    38 S   HC   _H32    39     1.08856   117.31903   -60.61719
   40    33 S   CT   _C28    96     1.53542   108.57265   166.35597
   41    40 S   HC   _H33    97     1.09814   111.00156   -52.46092
   42    40 S   HC   _H34    98     1.09800   111.58689    66.62328
   43    38 S   CM   _C25    40     1.34205   122.94329   120.79373
   44    43 S   HC   _H31    41     1.08780   119.11539    -0.36691
   45    40 S   C    _C29    99     1.52282   111.46138  -172.55819
   46    45 S   O    _O36   100     1.22673   120.24247  -105.40090
   47    43 S   CM   _C24    42     1.44648   123.83073   179.20771
   48    47 S   HC   _H30    43     1.08658   117.16364     0.73195
   49    45 S   N    _N5_   101     1.38726   111.84068    74.32934
   50    49 S   H    _H35   102     1.01745   116.92784     3.81813
   51    47 S   CM   _C23    44     1.34359   122.02291  -178.24041
   52    51 S   HC   _H29    45     1.09121   117.85948     0.52786
   53    49 S   CM   _C30   103     1.36975   129.20552  -176.73655
   54    51 S   CT   _C19    46     1.52336   128.22125   178.72160
   55    53 S   CMA  _C31   104     1.34387   134.10748     2.21717
   56    55 S   OM   _O38   105     1.25827   135.88875     0.08847
   57    54 S   CM   _C18    47     1.51871   112.84851    20.01982
   58    57 S   HC   _H28    48     1.08606   113.71245    60.45043
   59    54 S   OH   _O39    94     1.43757   106.08668   135.89667
   60    59 S   HO   _H40    95     0.97283   108.23601   -58.26030
   61    55 S   CT   _C32   106     1.52068   111.86732   179.69290
   62    61 S   HC   _H36   107     1.09829   111.65378   119.44597
   63    61 S   HC   _H37   108     1.09833   111.70104  -119.95728
   64    57 S   CM   _C17    49     1.34438   126.60564  -119.84152
   65    61 S   CT   _C33   109     1.52226   106.48232    -0.26614
   66    65 S   HC   _H38   110     1.09348   111.62037  -117.89692
   67    65 S   HC   _H39   111     1.09347   111.64049   117.91001
   68    64 S   CO4  _C22    50     1.49860   119.86458     0.38866
   69    68 S   O    _O34    51     1.22627   121.77561   175.66094
   70    64 S   N    _N4_    57     1.38436   126.07888  -179.29473
   71    70 S   H    _H27    58     1.01707   113.42976  -178.77220
   72    53 S   CO4  _C34   112     1.48022   118.57016  -178.56428
   73    72 S   O    _O37   113     1.22349   123.62525     0.11191
   74    68 S   C3T  _C21    52     1.47346   118.15839    -5.56084
   75    74 S   HC   _H5_    53     1.08376   116.34220   156.57521
   76    70 S   C    _C16    59     1.38672   128.73016     2.56926
   77    76 S   O    _O33    60     1.22828   126.31133     1.89630
   78    54 S   C3T  _C20    54     1.50824   110.27538  -109.05460
   79    78 S   HC   _H4_    55     1.08180   114.94033   -33.53365
   80    76 S   CM   _C14    61     1.50901   113.32027  -178.06194
   81    74 S   O3T  _O35    56     1.43787   112.96208   -63.32706
   82    80 S   CM   _C13    62     1.34825   115.59895  -153.59678
   83    82 S   HC   _H23    63     1.08979   119.93963     0.22555
   84    80 S   CT   _C15    90     1.50216   119.17996    29.99332
   85    84 S   HC   _H24    91     1.09458   110.53683   -83.99697
   86    84 S   HC   _H25    92     1.09482   110.94690    36.52516
   87    84 S   HC   _H26    93     1.09437   112.36828   155.06436
   88    82 S   CM   _C11    64     1.45927   126.86576  -179.25218
   89    88 S   CM   _C10    65     1.34796   120.75639   -58.69518
   90    89 S   HC   _H19    66     1.09109   117.99834     0.03426
   91    88 S   CT   _C12    86     1.50330   113.55208   124.25535
   92    91 S   HC   _H20    87     1.09610   110.66934    51.08105
   93    91 S   HC   _H21    88     1.09185   113.51389   170.72848
   94    91 S   HC   _H22    89     1.09517   110.19871   -68.57021
   95    89 S   CT   _C8_    67     1.51198   128.01006   179.87489
   96    95 S   HC   _H3_    68     1.09411   111.22365    -5.58307
   97    95 S   CT   _C9_    69     1.53247   108.97842  -122.94457
   98    97 S   HC   _H16    70     1.09602   111.62152   -62.24019
   99    97 S   HC   _H17    71     1.09590   110.97290    58.21278
  100    97 S   HC   _H18    72     1.09543   110.68110   177.66016
  101    95 S   CT   _C7_    73     1.54110   111.60479   115.34947
  102   101 S   HC   _H14    74     1.09779   108.86724   173.74524
  103   101 S   HC   _H15    75     1.09801   110.08270    57.28818
  104   101 S   CT   _C6_    76     1.53326   113.03344   -65.36918
  105   104 S   HC   _H12    77     1.09606   110.15822    62.35920
  106   104 S   HC   _H13    78     1.09679   109.52453   -55.34958
  107   104 S   CT   _C5_    79     1.52915   111.22133  -176.53943
  108   107 S   HC   _H10    80     1.09620   109.89022    58.94965
  109   107 S   HC   _H11    81     1.09621   109.84912   -58.80542
  110   107 S   CT   _C4_    82     1.52041   111.47535  -179.93744
  111   110 S   HC   _H7_    83     1.09469   111.00235    60.28858
  112   110 S   HC   _H8_    84     1.09448   110.26219  -179.97202
  113   110 S   HC   _H9_    85     1.09468   110.99700   -60.22557
  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   9   5   4   3
  12   7   2   1   1  10   4   8   4   3   6   3   6   3   7   3
   8   3  11   4  10  12   9   5  13   5   6   1   7   5   4  11
   4   3   2   9   5   7   3   1   1   4   3   9   3   2   1   9
   1  13   4   4   2   1   1  10  15   5   4   2   1   1  12   8
   7   3   2   1   9   5   4   9   5   4   6   5   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    49  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    49    50    53    43  
   42    45    46    49  
   45    46    49  
   44    47    48    51    52    54  
   47    48    51  
   46    49    50    53    55    72  
   49    50    53  
   48    51    52    54    57    78    59  
   51    52    54  
   50    53    55    56    61    65    72    73  
   53    55    72  
   52    54    57    58    64    74    78    79    81    59    60  
   54    57    78    59  
   55    56    61    62    63    65    66    67    72    73  
   57    58    64    68    74    75    78    79    81    70    59    60  
   56    61    62    63    65    66    67    72    73  
   61    62    63    65    72  
   58    64    68    69    74    78    79    81    70    71    76    59    60  
   64    68    78    70    59  
   60    64    74    78    79    81  
   78  
   62    63    65    66    67    72    73  
   63    65    66    67    72  
   65    66    67    72  
   68    69    74    75    78    81    70    71    76    77    80  
   66    67    72    73  
   67    72    73  
   72    73  
   69    74    75    78    79    81    70    71    76  
   74    75    78    81    70  
   71    76    77    80    82    84    74  
   76    77    80  
   73  
    0  
   75    78    79    81  
   78    79    81  
   77    80    82    83    88    84    85    86    87  
   80    82    84  
   79    81  
   81  
   82    83    88    89    91    84    85    86    87  
    0  
   83    88    89    90    95    91    92    93    94    84    85    86    87  
   88    89    91    84  
   85    86    87    88  
   86    87  
   87  
    0  
   89    90    95    96    97   101    91    92    93    94  
   90    95    96    97    98    99   100   101   102   103   104    91    92    93    94  
   95    96    97   101    91  
   92    93    94    95  
   93    94  
   94  
    0  
   96    97    98    99   100   101   102   103   104   105   106   107  
   97    98    99   100   101   102   103   104  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101  
  101  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107   108   109   110   111   112   113  
  106   107   108   109   110  
  107   108   109   110  
  108   109   110   111   112   113  
  109   110   111   112   113  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   71   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   78   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   81   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    52   340.000  1.080
   51    54   317.000  1.510
   54    57   317.000  1.510
   54    78   275.000  1.510
   54    59   320.000  1.410
   57    58   340.000  1.080
   57    64   549.000  1.340
   64    68   320.000  1.462
   64    70   400.000  1.384
   68    69   570.000  1.229
   68    74   290.000  1.496
   74    75   340.000  1.088
   74    78   260.000  1.509
   74    81   335.000  1.432
   78    79   340.000  1.088
   78    81   335.000  1.432
   70    71   434.000  1.010
   70    76   490.000  1.335
   76    77   570.000  1.229
   76    80   410.000  1.444
   80    82   549.000  1.340
   80    84   317.000  1.510
   82    83   340.000  1.080
   82    88   380.000  1.444
   88    89   549.000  1.340
   88    91   317.000  1.510
   89    90   340.000  1.080
   89    95   317.000  1.510
   95    96   340.000  1.090
   95    97   268.000  1.529
   95   101   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   268.000  1.529
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   59    60   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    49   490.000  1.335
   49    50   434.000  1.010
   49    53   400.000  1.384
   53    55   465.000  1.376
   53    72   320.000  1.462
   55    56   745.000  1.250
   55    61   270.000  1.512
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   317.000  1.522
   72    73   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    51    70.00000  123.01800
   47    43    44    35.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    54    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    54    57    70.00000  110.12100
   51    54    78    70.00000  112.02700
   51    54    59    90.00000  110.39200
   54    51    52    35.00000  117.00000
   54    57    58    35.00000  117.00000
   54    57    64    70.00000  124.00000
   54    78    74    60.00000  120.94000
   54    78    79    40.00000  115.04500
   54    78    81    80.00000  116.47100
   54    59    60    55.00000  108.50000
   57    64    68    65.00000  118.96000
   57    64    70    75.00000  120.83300
   64    57    58    35.00000  120.00000
   64    68    69    80.00000  123.72100
   64    68    74    65.00000  118.62400
   64    70    71    45.00000  117.55000
   64    70    76    70.00000  120.89900
   68    74    75    40.00000  116.18000
   68    74    78    65.00000  117.18000
   68    74    81    80.00000  114.91000
   74    68    69    75.00000  121.36600
   74    78    79    37.50000  117.20000
   74    78    81    15.00000   60.43100
   74    81    78    15.00000   59.14900
   78    54    57    70.00000  112.02700
   78    74    75    37.50000  117.20000
   81    74    75    50.00000  114.27700
   81    74    78    15.00000   60.43100
   81    78    79    50.00000  114.27700
   70    64    68    70.00000  117.92000
   70    76    77    80.00000  122.90000
   70    76    80    80.00000  111.56200
   76    70    71    35.00000  119.80000
   76    80    82    70.00000  118.70000
   76    80    84    70.00000  119.70000
   80    76    77    80.00000  125.30000
   80    82    83    35.00000  120.00000
   80    82    88    70.00000  123.01800
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   82    88    89    70.00000  123.01800
   82    88    91    70.00000  124.00000
   88    82    83    35.00000  120.00000
   88    89    90    35.00000  120.00000
   88    89    95    70.00000  124.00000
   88    91    92    35.00000  109.50000
   88    91    93    35.00000  109.50000
   88    91    94    35.00000  109.50000
   89    95    96    35.00000  109.50000
   89    95    97    70.00000  112.02700
   89    95   101    70.00000  112.02700
   95    89    90    35.00000  117.00000
   95    97    98    37.50000  110.70000
   95    97    99    37.50000  110.70000
   95    97   100    37.50000  110.70000
   95   101   102    37.50000  110.70000
   95   101   103    37.50000  110.70000
   95   101   104    58.35000  112.70000
   97    95    96    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    95    96    37.50000  110.70000
  101    95    97    58.35000  112.70000
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  101   104   107    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   107   108    37.50000  110.70000
  104   107   109    37.50000  110.70000
  104   107   110    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    37.50000  110.70000
  107   104   106    37.50000  110.70000
  107   110   111    37.50000  110.70000
  107   110   112    37.50000  110.70000
  107   110   113    37.50000  110.70000
  109   107   108    33.00000  107.80000
  110   107   108    37.50000  110.70000
  110   107   109    37.50000  110.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   91    88    89    70.00000  124.00000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   84    80    82    70.00000  124.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   59    54    57    90.00000  110.39200
   59    54    78    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    49    70.00000  116.60000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    49    50    35.00000  119.80000
   45    49    53    70.00000  120.89900
   49    45    46    80.00000  122.90000
   49    53    55    75.00000  120.83300
   49    53    72    70.00000  117.92000
   53    49    50    45.00000  117.55000
   53    55    56    65.00000  137.10300
   53    55    61    65.00000  122.18000
   53    72    65    65.00000  118.62400
   53    72    73    80.00000  123.72100
   55    61    62    45.00000  110.52000
   55    61    63    45.00000  110.52000
   55    61    65    70.00000  112.02700
   61    55    56    85.00000  112.85300
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    72    63.00000  111.10000
   63    61    62    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    63    37.50000  110.70000
   65    72    73    80.00000  120.40000
   67    65    66    33.00000  107.80000
   72    53    55    60.00000  125.92000
   72    65    66    35.00000  109.50000
   72    65    67    35.00000  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
   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
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   67    65    72    53   0.00000  1.0 1.0
   67    65    72    73   0.00000  1.0 1.0
   72    53    55    56   7.00000 -1.0 2.0
   72    53   -55    61   7.00000 -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    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   43    48    47    51  15.00000 -1.0 2.0
   54    52    51    47  15.00000 -1.0 2.0
   54    58    57    64   1.10000 -1.0 2.0
   68    70    64    57   1.10000 -1.0 2.0
   64    74    68    69  10.50000 -1.0 2.0
   71    76    70    64   1.00000 -1.0 2.0
   70    80    76    77  10.50000 -1.0 2.0
   76    84    80    82  15.00000 -1.0 2.0
   88    83    82    80  15.00000 -1.0 2.0
   82    91    88    89  15.00000 -1.0 2.0
   95    90    89    88  15.00000 -1.0 2.0
   40    49    45    46  10.50000 -1.0 2.0
   50    45    49    53   1.00000 -1.0 2.0
   49    72    53    55   1.10000 -1.0 2.0
   61    56    55    53   1.10000 -1.0 2.0
   53    65    72    73  10.50000 -1.0 2.0
END
