* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    222    363     677
    1     0 S   NP   _N1_     1    28.77052    95.58735   -21.32594
    2     1 S   H    _HN1     2     1.02957    86.28370    41.43586
    3     1 S   H    _H1_     3     1.02831    39.04451   164.50470
    4     1 S   H    _H2_     4     1.02776    84.19734   -67.48498
    5     1 S   CT   _CA1     5     1.50142   149.73890   166.95069
    6     5 S   HC   _HA1     6     1.09552   105.26627    57.63097
    7     5 S   CO3  _C1_     7     1.53918   112.33561   -62.82645
    8     7 S   O2Z  _O11     8     1.26391   114.93659   -40.17404
    9     7 S   O2Z  _O12     9     1.26226   115.04985   138.96012
   10     5 S   CT   _CB1    10     1.53101   107.44305   175.94503
   11    10 S   HC   HB11    11     1.09818   109.78393   -45.96011
   12    10 S   HC   HB12    12     1.09827   110.25251    70.75665
   13    10 S   CT   _CG1    13     1.52980   112.54325  -166.87483
   14    13 S   HC   HG11    14     1.09510   110.58361   -56.57227
   15    13 S   HC   HG12    15     1.09638   110.04632    62.39567
   16    13 S   C    _CD1    16     1.51829   112.12096  -177.46619
   17    16 S   O    _OE1    17     1.22725   123.23664   -11.91484
   18    16 S   N    _N2_    18     1.38539   111.63826   168.76083
   19    18 S   H    _HN2    19     1.01599   118.90977     1.30985
   20    18 S   CT1  _CA2    20     1.46198   123.59230  -179.80820
   21    20 S   HC   _HA2    21     1.09734   109.42408   -11.83628
   22    20 S   C    _C2_    22     1.53433   108.06686  -127.28922
   23    22 S   O    _O2_    23     1.23015   122.48422  -146.93562
   24    20 S   CT   _CB2    32     1.53602   111.38011   110.50354
   25    24 S   HC   HB21    33     1.09229   109.29386    54.02610
   26    24 S   HC   HB22    34     1.09368   109.72290   172.22815
   27    22 S   N    _N3_    24     1.38400   113.40871    40.52464
   28    27 S   H    _HN3    25     1.01649   119.49656    -3.61330
   29    24 S   S    _SG2    35     1.83106   111.16932   -69.09636
   30    27 S   CT   _CA3    26     1.45291   123.07497   176.94219
   31    30 S   HC   HA31    27     1.09553   107.52032   -63.74527
   32    30 S   HC   HA32    28     1.09559   107.94286    52.64876
   33    29 S   CT   _C20    36     1.87055   104.53412   157.42825
   34    30 S   CO3  _C3_    29     1.52921   114.16965   174.62571
   35    34 S   O2Z  _O31    30     1.26360   116.06031    -1.15995
   36    34 S   O2Z  _O32    31     1.26432   114.41165   178.90818
   37    33 S   CT   _C21    37     1.54584   109.68532    39.19942
   38    37 S   HC   _H32    38     1.09378   112.45328   -61.60733
   39    37 S   HC   _H33    39     1.09553   111.93253  -179.57618
   40    33 S   CT   _C19    56     1.59394   111.69489   155.87285
   41    40 S   HC   _H5_    57     1.09615   103.88767  -178.96335
   42    37 S   CO4  _C22    40     1.50923   111.88752    62.02007
   43    42 S   O    _O33    41     1.23238   120.89472  -127.99723
   44    40 S   CT   _C18    58     1.55103   112.69145    70.61235
   45    44 S   HC   _H30    59     1.09367   110.73756   -68.21503
   46    44 S   HC   _H31    60     1.09440   110.25954   174.86733
   47    42 S   CT   _C23    42     1.51992   117.97396    57.40755
   48    47 S   HC   _H6_    43     1.10074   104.27644  -159.85299
   49    44 S   CT   _C17    61     1.54189   112.98857    55.62919
   50    49 S   HC   _H28    62     1.09712   108.91574    65.79673
   51    49 S   HC   _H29    63     1.09415   107.91213  -179.59846
   52    47 S   CT   _C28    44     1.54228   109.10950    87.93871
   53    52 S   HC   _H38    45     1.09792   111.35437    22.24820
   54    52 S   HC   _H39    46     1.09947   108.68244   136.87601
   55    49 S   CT   _C16    64     1.53887   112.11210   -56.88516
   56    52 S   CT   _C27    47     1.52261   114.08594  -102.27584
   57    56 S   HC   _H7_    48     1.09424   109.44857    66.45492
   58    55 S   CT   _C12    65     1.57424   115.59866   165.04702
   59    58 S   HC   _H4_    66     1.09842   107.34485   -42.50759
   60    55 S   CT   _C30   101     1.54964   108.36585   -72.79506
   61    60 S   HC   _H44   102     1.09187   112.50398   176.54158
   62    60 S   HC   _H45   103     1.08950   113.58497    53.51932
   63    60 S   HC   _H46   104     1.09475   111.08512   -63.74873
   64    56 S   CT   _C26    49     1.52807   112.18086   -56.29091
   65    64 S   HC   _H36    50     1.09758   110.73585   -98.25131
   66    64 S   HC   _H37    51     1.09735   108.67538   146.88613
   67    58 S   CT   _C13    67     1.55822   102.57377  -155.82222
   68    67 S   HC   _H24    68     1.09605   112.01340  -101.94019
   69    67 S   HC   _H25    69     1.09589   110.11891   138.43334
   70    58 S   CT   _C5_    76     1.55475   120.40630    79.02581
   71    70 S   HC   _H3_    77     1.09664   108.52022    58.29173
   72    56 S   OH   _O34   109     1.42548   108.77783  -177.65365
   73    72 S   HO   _H40   110     0.97260   107.47918  -179.53606
   74    64 S   CT   _C25    52     1.52947   113.47374    24.45363
   75    74 S   HC   _H34    53     1.09547   109.37893   160.47223
   76    74 S   HC   _H35    54     1.10006   107.14330   -86.53535
   77    67 S   CT   _C14    70     1.54224   107.58523    17.86558
   78    77 S   HC   _H26    71     1.09496   110.31870   134.71549
   79    77 S   HC   _H27    72     1.09186   108.32221  -107.38999
   80    70 S   CT   _C4_    78     1.53221   112.67674   -60.35693
   81    80 S   HC   _H8_    79     1.09460   111.67906   -48.14427
   82    80 S   HC   _H9_    80     1.09232   111.29119    72.94027
   83    80 S   HC   _H10    81     1.09558   111.06769  -168.80886
   84    70 S   CT   _C6_    82     1.55256   113.07454   174.56888
   85    84 S   HC   _H11    83     1.09834   108.28697  -176.30085
   86    84 S   HC   _H12    84     1.09655   109.54609   -61.86116
   87    47 S   CT   _C24    55     1.56486   113.86924   -42.62815
   88    33 S   CT   _C15    73     1.57984   111.72361   -85.04192
   89    84 S   CT   _C7_    85     1.53378   115.32818    61.57248
   90    89 S   HC   _H13    86     1.09530   110.12106    57.52774
   91    89 S   HC   _H14    87     1.09369   109.57346   -60.63564
   92    88 S   OH   _O35    74     1.46063   105.30806   174.31556
   93    92 S   HO   _H47    75     0.97194   108.69242   -83.92039
   94    89 S   CT   _C8_    88     1.53336   110.95361   178.49078
   95    94 S   HC   _H15    89     1.09757   109.35135    61.88752
   96    94 S   HC   _H16    90     1.09770   108.66686   -54.14145
   97    87 S   CT   _C29   105     1.55037   108.20187   -91.61869
   98    97 S   HC   _H41   106     1.09064   112.76810    52.47049
   99    97 S   HC   _H42   107     1.09757   110.75078   -65.42883
  100    97 S   HC   _H43   108     1.09358   112.24276   175.75739
  101    94 S   CT   _C9_    91     1.54008   113.47613  -175.21464
  102   101 S   HC   _H17    92     1.09738   108.70672    56.32039
  103   101 S   CT   _C10    93     1.52942   112.49285   -63.52762
  104   103 S   HC   _H18    94     1.09522   111.25789   -55.82266
  105   103 S   HC   _H19    95     1.09546   110.75224  -175.88896
  106   103 S   HC   _H20    96     1.09409   111.38732    65.00029
  107   101 S   CT   _C11    97     1.53075   109.78900   174.02112
  108   107 S   HC   _H21    98     1.09539   111.28456    61.95935
  109   107 S   HC   _H22    99     1.09521   110.83616  -177.78680
  110   107 S   HC   _H23   100     1.09516   110.83609   -58.31842
  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  13   5   4   3
  25   2   1   1  15   6   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  14   8   2   1   7   3   2   5   3   2   7
   3   2   1   9   5   4   5   2   9   5   4   1   1  12   5   4
   3   2   1   1   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    88    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    87    40    41    44    55    77    88    92  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    47    74    87    40    41    44    45    46    49    55    58    67    77    78    79    88    92    93    60    97  
   35    36  
   36  
    0  
   38    39    42    43    47    48    52    87    40    41    44    55    77    88    92  
   39    42    43    47    40    88  
   42    43    47    40    88  
   41    44    45    46    49    50    51    55    77    88    92    97    98    99   100    42    47    48    52    64    74    75    76    87  
   44    45    46    49    88    97    47    74    87  
   43    47    48    52    53    54    56    74    87    88    97  
   47    48    52    87  
   45    46    49    50    51    55    58    88    60    97    47    74    87  
   46    49    50    51    55    87  
   49    50    51    55    87  
   48    52    53    54    56    57    64    74    75    76    87    97    98    99   100    72  
   52    53    54    56    74    87    97  
   50    51    55    58    59    67    77    88    92    70    60    61    62    63    87  
   51    55    58    88    60  
   55    58    88    60  
   53    54    56    57    64    65    66    74    87    97    72    73  
   54    56    57    64    87    72  
   56    57    64    87    72  
   58    59    67    68    69    77    78    79    88    92    93    70    71    80    84    60    61    62    63  
   57    64    65    66    74    75    76    87    72    73  
   64    65    66    74    72    73  
   59    67    68    69    77    78    79    88    92    70    71    80    81    82    83    84    85    86    89    60    61    62    63  
   67    68    69    77    88    70    71    80    84    60  
   61    62    63    67    70    77    88    92  
   62    63    88  
   63    88  
   88  
   65    66    74    75    76    87    97    72    73  
   66    74    75    76    87    72  
   74    75    76    87    72  
   68    69    77    78    79    88    92    70    71    80    84  
   69    77    78    79    88    70  
   77    78    79    88    70  
   71    80    81    82    83    84    85    86    89    90    91    94    77    88  
   80    81    82    83    84    85    86    89  
   73    74  
    0  
   75    76    87    97    98    99   100  
   76    87    97  
   87    97  
   78    79    88    92    93  
   79    88    92  
   88    92  
   81    82    83    84    85    86    89  
   82    83    84  
   83    84  
   84  
   85    86    89    90    91    94    95    96   101  
   86    89    90    91    94  
   89    90    91    94  
   88    97    98    99   100  
   92    93  
   90    91    94    95    96   101   102   103   107  
   91    94    95    96   101  
   94    95    96   101  
   93  
    0  
   95    96   101   102   103   104   105   106   107   108   109   110  
   96   101   102   103   107  
  101   102   103   107  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107   108   109   110  
  104   105   106   107   108   109   110  
  105   106   107  
  106   107  
  107  
  108   109   110  
  109   110  
  110  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    88   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    87   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    64   268.000  1.529
   56    72   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    87   268.000  1.529
   87    40   268.000  1.529
   87    97   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    58   268.000  1.529
   55    88   268.000  1.529
   55    60   268.000  1.529
   58    59   340.000  1.090
   58    67   268.000  1.529
   58    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    88   268.000  1.529
   88    92   320.000  1.410
   92    93   553.000  0.945
   70    71   340.000  1.090
   70    80   268.000  1.529
   70    84   268.000  1.529
   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    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    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   340.000  1.090
  101   103   268.000  1.529
  101   107   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   72    73   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    88    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    40    87    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    88    55    58.35000  112.70000
   33    88    77    58.35000  112.70000
   33    88    92    50.00000  109.50000
   37    42    43    80.00000  120.40000
   37    42    47    70.00000  116.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    52    63.00000  111.10000
   42    47    87    63.00000  111.10000
   47    42    43    80.00000  120.40000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    56    58.35000  112.70000
   47    87    74    58.35000  112.70000
   47    87    40    58.35000  112.70000
   47    87    97    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    64    58.35000  112.70000
   52    56    72    50.00000  109.50000
   54    52    53    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    74    58.35000  112.70000
   56    72    73    55.00000  108.50000
   64    56    57    37.50000  110.70000
   64    74    75    37.50000  110.70000
   64    74    76    37.50000  110.70000
   64    74    87    58.35000  112.70000
   66    64    65    33.00000  107.80000
   74    64    65    37.50000  110.70000
   74    64    66    37.50000  110.70000
   74    87    40    58.35000  112.70000
   74    87    97    58.35000  112.70000
   76    74    75    33.00000  107.80000
   87    47    48    37.50000  110.70000
   87    47    52    58.35000  112.70000
   87    74    75    37.50000  110.70000
   87    74    76    37.50000  110.70000
   87    40    41    37.50000  110.70000
   87    40    44    58.35000  112.70000
   87    97    98    37.50000  110.70000
   87    97    99    37.50000  110.70000
   87    97   100    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    49    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    55    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    55    58    58.35000  112.70000
   49    55    88    58.35000  112.70000
   49    55    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    67    58.35000  112.70000
   55    58    70    58.35000  112.70000
   55    88    77    58.35000  112.70000
   55    88    92    50.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    77    58.35000  112.70000
   58    70    71    37.50000  110.70000
   58    70    80    58.35000  112.70000
   58    70    84    58.35000  112.70000
   67    58    59    37.50000  110.70000
   67    77    78    37.50000  110.70000
   67    77    79    37.50000  110.70000
   67    77    88    58.35000  112.70000
   69    67    68    33.00000  107.80000
   77    67    68    37.50000  110.70000
   77    67    69    37.50000  110.70000
   77    88    92    50.00000  109.50000
   79    77    78    33.00000  107.80000
   88    33    37    58.35000  112.70000
   88    33    40    58.35000  112.70000
   88    55    58    58.35000  112.70000
   88    77    78    37.50000  110.70000
   88    77    79    37.50000  110.70000
   88    92    93    55.00000  108.50000
   70    58    59    37.50000  110.70000
   70    58    67    58.35000  112.70000
   70    80    81    37.50000  110.70000
   70    80    82    37.50000  110.70000
   70    80    83    37.50000  110.70000
   70    84    85    37.50000  110.70000
   70    84    86    37.50000  110.70000
   70    84    89    58.35000  112.70000
   80    70    71    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    70    71    37.50000  110.70000
   84    70    80    58.35000  112.70000
   84    89    90    37.50000  110.70000
   84    89    91    37.50000  110.70000
   84    89    94    58.35000  112.70000
   86    84    85    33.00000  107.80000
   89    84    85    37.50000  110.70000
   89    84    86    37.50000  110.70000
   89    94    95    37.50000  110.70000
   89    94    96    37.50000  110.70000
   89    94   101    58.35000  112.70000
   91    89    90    33.00000  107.80000
   94    89    90    37.50000  110.70000
   94    89    91    37.50000  110.70000
   94   101   102    37.50000  110.70000
   94   101   103    58.35000  112.70000
   94   101   107    58.35000  112.70000
   96    94    95    33.00000  107.80000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  101   103   104    37.50000  110.70000
  101   103   105    37.50000  110.70000
  101   103   106    37.50000  110.70000
  101   107   108    37.50000  110.70000
  101   107   109    37.50000  110.70000
  101   107   110    37.50000  110.70000
  103   101   102    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107   101   102    37.50000  110.70000
  107   101   103    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   60    55    58    58.35000  112.70000
   60    55    88    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   97    87    40    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
   72    56    57    35.00000  109.50000
   72    56    64    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
   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
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   59    58    70    84   0.15000  1.0 3.0
   67    58    70    71   0.15000  1.0 3.0
   67    58    70    80   0.56750  1.0 1.0
   67    58    70    80  -0.07550 -1.0 2.0
   67    58    70    80   0.20000  1.0 3.0
   67    58    70    84   0.56750  1.0 1.0
   67    58    70    84  -0.07550 -1.0 2.0
   67    58    70    84   0.20000  1.0 3.0
   67    77    88    33   0.56750  1.0 1.0
   67    77    88    33  -0.07550 -1.0 2.0
   67    77    88    33   0.20000  1.0 3.0
   67    77   -88    55   0.56750  1.0 1.0
   67    77   -88    55  -0.07550 -1.0 2.0
   67    77   -88    55   0.20000  1.0 3.0
   67    77    88    92   0.86500  1.0 1.0
   67    77    88    92  -0.17500 -1.0 2.0
   67    77    88    92   0.20800  1.0 3.0
   68    67    77    78   0.15000  1.0 3.0
   68    67    77    79   0.15000  1.0 3.0
   68    67    77    88   0.15000  1.0 3.0
   69    67    77    78   0.15000  1.0 3.0
   69    67    77    79   0.15000  1.0 3.0
   69    67    77    88   0.15000  1.0 3.0
   77    88    92    93  -0.11600  1.0 1.0
   77    88    92    93  -0.09450 -1.0 2.0
   77    88    92    93   0.21250  1.0 3.0
   78    77    88    33   0.15000  1.0 3.0
   78    77    88    55   0.15000  1.0 3.0
   78    77    88    92   0.23400  1.0 3.0
   79    77    88    33   0.15000  1.0 3.0
   79    77    88    55   0.15000  1.0 3.0
   79    77    88    92   0.23400  1.0 3.0
   88    33    37    38   0.15000  1.0 3.0
   88    33    37    39   0.15000  1.0 3.0
   88    33    37    42  -0.95700  1.0 1.0
   88    33    37    42  -0.18200 -1.0 2.0
   88    33    37    42   0.29450  1.0 3.0
   88    33    40    87   0.56750  1.0 1.0
   88    33    40    87  -0.07550 -1.0 2.0
   88    33    40    87   0.20000  1.0 3.0
   88    33    40    41   0.15000  1.0 3.0
   88    33   -40    44   0.56750  1.0 1.0
   88    33   -40    44  -0.07550 -1.0 2.0
   88    33   -40    44   0.20000  1.0 3.0
   88    55    58    59   0.15000  1.0 3.0
   88    55   -58    67   0.56750  1.0 1.0
   88    55   -58    67  -0.07550 -1.0 2.0
   88    55   -58    67   0.20000  1.0 3.0
   88    55    58    70   0.56750  1.0 1.0
   88    55    58    70  -0.07550 -1.0 2.0
   88    55    58    70   0.20000  1.0 3.0
   88    55    60    61   0.15000  1.0 3.0
   88    55    60    62   0.15000  1.0 3.0
   88    55    60    63   0.15000  1.0 3.0
   70    58    67    68   0.15000  1.0 3.0
   70    58    67    69   0.15000  1.0 3.0
   70    58    67    77   0.56750  1.0 1.0
   70    58    67    77  -0.07550 -1.0 2.0
   70    58    67    77   0.20000  1.0 3.0
   70    84    89    90   0.15000  1.0 3.0
   70    84    89    91   0.15000  1.0 3.0
   70    84    89    94   0.56750  1.0 1.0
   70    84    89    94  -0.07550 -1.0 2.0
   70    84    89    94   0.20000  1.0 3.0
   71    70    80    81   0.15000  1.0 3.0
   71    70    80    82   0.15000  1.0 3.0
   71    70    80    83   0.15000  1.0 3.0
   71    70    84    85   0.15000  1.0 3.0
   71    70    84    86   0.15000  1.0 3.0
   71    70    84    89   0.15000  1.0 3.0
   80    70    84    85   0.15000  1.0 3.0
   80    70    84    86   0.15000  1.0 3.0
   80    70    84    89   0.56750  1.0 1.0
   80    70    84    89  -0.07550 -1.0 2.0
   80    70    84    89   0.20000  1.0 3.0
   84    70    80    81   0.15000  1.0 3.0
   84    70    80    82   0.15000  1.0 3.0
   84    70    80    83   0.15000  1.0 3.0
   84    89    94    95   0.15000  1.0 3.0
   84    89    94    96   0.15000  1.0 3.0
   84    89    94   101   0.56750  1.0 1.0
   84    89    94   101  -0.07550 -1.0 2.0
   84    89    94   101   0.20000  1.0 3.0
   85    84    89    90   0.15000  1.0 3.0
   85    84    89    91   0.15000  1.0 3.0
   85    84    89    94   0.15000  1.0 3.0
   86    84    89    90   0.15000  1.0 3.0
   86    84    89    91   0.15000  1.0 3.0
   86    84    89    94   0.15000  1.0 3.0
   89    94   101   102   0.15000  1.0 3.0
   89    94   101   103   0.56750  1.0 1.0
   89    94   101   103  -0.07550 -1.0 2.0
   89    94   101   103   0.20000  1.0 3.0
   89    94   101   107   0.56750  1.0 1.0
   89    94   101   107  -0.07550 -1.0 2.0
   89    94   101   107   0.20000  1.0 3.0
   90    89    94    95   0.15000  1.0 3.0
   90    89    94    96   0.15000  1.0 3.0
   90    89    94   101   0.15000  1.0 3.0
   91    89    94    95   0.15000  1.0 3.0
   91    89    94    96   0.15000  1.0 3.0
   91    89    94   101   0.15000  1.0 3.0
   94   101   103   104   0.15000  1.0 3.0
   94   101   103   105   0.15000  1.0 3.0
   94   101   103   106   0.15000  1.0 3.0
   94   101   107   108   0.15000  1.0 3.0
   94   101   107   109   0.15000  1.0 3.0
   94   101   107   110   0.15000  1.0 3.0
   95    94   101   102   0.15000  1.0 3.0
   95    94   101   103   0.15000  1.0 3.0
   95    94   101   107   0.15000  1.0 3.0
   96    94   101   102   0.15000  1.0 3.0
   96    94   101   103   0.15000  1.0 3.0
   96    94   101   107   0.15000  1.0 3.0
  102   101   103   104   0.15000  1.0 3.0
  102   101   103   105   0.15000  1.0 3.0
  102   101   103   106   0.15000  1.0 3.0
  102   101   107   108   0.15000  1.0 3.0
  102   101   107   109   0.15000  1.0 3.0
  102   101   107   110   0.15000  1.0 3.0
  103   101   107   108   0.15000  1.0 3.0
  103   101   107   109   0.15000  1.0 3.0
  103   101   107   110   0.15000  1.0 3.0
  107   101   103   104   0.15000  1.0 3.0
  107   101   103   105   0.15000  1.0 3.0
  107   101   103   106   0.15000  1.0 3.0
   60    55    58    59   0.15000  1.0 3.0
   60    55    58    67   0.56750  1.0 1.0
   60    55    58    67  -0.07550 -1.0 2.0
   60    55    58    67   0.20000  1.0 3.0
   60    55    58    70   0.56750  1.0 1.0
   60    55    58    70  -0.07550 -1.0 2.0
   60    55    58    70   0.20000  1.0 3.0
   60    55    88    33   0.56750  1.0 1.0
   60    55    88    33  -0.07550 -1.0 2.0
   60    55    88    33   0.20000  1.0 3.0
   60    55    88    77   0.56750  1.0 1.0
   60    55    88    77  -0.07550 -1.0 2.0
   60    55    88    77   0.20000  1.0 3.0
   60    55    88    92   0.86500  1.0 1.0
   60    55    88    92  -0.17500 -1.0 2.0
   60    55    88    92   0.20800  1.0 3.0
   97    87    40    33   0.56750  1.0 1.0
   97    87    40    33  -0.07550 -1.0 2.0
   97    87    40    33   0.20000  1.0 3.0
   97    87    40    41   0.15000  1.0 3.0
   97    87    40    44   0.56750  1.0 1.0
   97    87    40    44  -0.07550 -1.0 2.0
   97    87    40    44   0.20000  1.0 3.0
   72    56    64    65   0.23400  1.0 3.0
   72    56    64    66   0.23400  1.0 3.0
   72    56    64    74   0.86500  1.0 1.0
   72    56    64    74  -0.17500 -1.0 2.0
   72    56    64    74   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
   37    47    42    43  10.50000 -1.0 2.0
END
