* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    223    362     677
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02077   105.89072   -26.33846
    3     1 S   H    _H1_     3     1.02042    63.38920    76.94632
    4     1 S   H    _H2_     4     1.02162    49.00679  -127.54496
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.85042    97.26058  -178.11966
   34    33 S   HC   _H3_    37     1.09929   104.32365   -33.43399
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C12    38     1.53385   106.48890    79.95742
   39    38 S   HC   _H46    39     1.09732   110.69339    59.88730
   40    38 S   HC   _H47    40     1.09817   109.23480   -56.94673
   41    38 S   CT   _C15    41     1.53349   112.38955  -177.39556
   42    41 S   HC   _H50    42     1.09464   107.42629    64.68659
   43    41 S   CT   _C13    43     1.53484   110.74067  -176.60581
   44    43 S   HC   _H48    44     1.10323   106.46694    62.87542
   45    41 S   CT   _C14    60     1.55906   110.93810   -55.37913
   46    45 S   HC   _H49    61     1.09781   105.66450   -59.58890
   47    43 S   CT   _C6_    45     1.52702   119.00015   -56.43859
   48    47 S   HC   _H34    46     1.09460   111.97303    78.68898
   49    47 S   HC   _H35    47     1.09582   111.47641   -41.90072
   50    45 S   CT   _C19    62     1.59074   112.12016    56.96979
   51    47 S   CT   _C8_    48     1.53962   104.16007  -161.03554
   52    51 S   HC   _H38    49     1.09659   109.78389   129.05952
   53    51 S   HC   _H39    50     1.09509   110.99807  -112.50054
   54    50 S   CT   _C9_    63     1.56512   110.56075  -176.71377
   55    54 S   HC   _H40    64     1.09501   110.97438   -58.38018
   56    54 S   HC   _H41    65     1.09853   109.63827  -173.50593
   57    50 S   CT   _C22    77     1.56195   109.32182    66.89792
   58    57 S   HC   _H56    78     1.07704   108.12710   -60.80474
   59    57 S   HC   _H57    79     1.07792   108.12317   179.20574
   60    57 S   HC   _H58    80     1.07781   108.10191    59.23668
   61    51 S   CT   _C16    51     1.54566   106.30204     7.56634
   62    61 S   HC   _H51    52     1.10038   107.55456   -93.06445
   63    54 S   CT   _C4_    66     1.52538   113.78409    65.25937
   64    63 S   HC   _H30    67     1.09505   110.54885   -66.43052
   65    63 S   HC   _H31    68     1.09604   109.24586   177.04633
   66    43 S   CT   _C18    53     1.54286   113.12038  -178.29946
   67    63 S   CT   _C5_    69     1.52095   111.54553    56.23144
   68    67 S   HC   _H32    70     1.09721   109.36919    69.49087
   69    67 S   HC   _H33    71     1.09649   109.39039  -174.58217
   70    61 S   CT   _C29    85     1.52150   112.90756   149.01697
   71    70 S   HC   _H74    86     1.09960   108.64967   -80.07428
   72    66 S   CT   _C10    54     1.53339   107.51470   -62.63387
   73    72 S   HC   _H42    55     1.09767   110.16687   -63.40238
   74    72 S   HC   _H43    56     1.09657   110.68299   179.32131
   75    67 S   CT   _C11    72     1.53402   112.67182   -52.85160
   76    75 S   HC   _H44    73     1.09860   107.21210   176.22332
   77    75 S   HC   _H45    74     1.09677   107.46372   -70.92951
   78    66 S   CT   _C21    81     1.54885   114.12858    59.41275
   79    78 S   HC   _H53    82     1.08161   108.72735    59.22288
   80    78 S   HC   _H54    83     1.08161   108.70840   -60.78077
   81    78 S   HC   _H55    84     1.08195   108.71992   179.23741
   82    70 S   CT   _C23    87     1.53434   109.87277   162.63501
   83    82 S   HC   _H59    88     1.09517   111.14588   -61.90209
   84    82 S   HC   _H60    89     1.09586   110.67212    58.12411
   85    82 S   HC   _H61    90     1.09478   111.09492   177.69590
   86    70 S   CT   _C27    91     1.54363   112.86987    40.17782
   87    86 S   HC   _H70    92     1.09748   109.66647   180.00000
   88    86 S   HC   _H71    93     1.09589   108.38104   -63.83316
   89    72 S   CT   _C7_    57     1.53933   111.56274    57.14219
   90    89 S   HC   _H36    58     1.09364   108.62964    71.28682
   91    89 S   HC   _H37    59     1.09557   106.98074  -174.37019
   92    33 S   CT   _C20    75     1.57298   115.35225  -153.76670
   93    92 S   OM   _O28    76     1.32983   107.12602    63.50874
   94    86 S   CT   _C26    94     1.53206   113.33138    57.46777
   95    94 S   HC   _H68    95     1.09605   109.57363    62.98169
   96    94 S   HC   _H69    96     1.09667   109.96007   -53.44466
   97    94 S   CT   _C28    97     1.53438   113.54341  -177.33553
   98    97 S   HC   _H72    98     1.09852   108.36896    59.95332
   99    97 S   HC   _H73    99     1.09778   107.82256   -54.47682
  100    97 S   CT   _C30   100     1.54028   116.16171  -177.18457
  101   100 S   HC   _H75   101     1.09608   109.22873    57.26774
  102   100 S   CT   _C24   102     1.53123   109.68659   -60.01024
  103   102 S   HC   _H62   103     1.09500   111.33025   -61.46280
  104   102 S   HC   _H63   104     1.09475   110.83655   178.20463
  105   102 S   HC   _H64   105     1.09572   110.76583    58.79451
  106   100 S   CT   _C25   106     1.52925   112.47314   177.55567
  107   106 S   HC   _H65   107     1.09450   111.31596    59.22967
  108   106 S   HC   _H66   108     1.09548   111.20463   179.88809
  109   106 S   HC   _H67   109     1.09523   110.81671   -59.96208
  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  10   5   4   3
  17   8   2   1   1  15   6   5  20   8  22   9  21   8  11   6
   5  20  11   5   4  16   7   6   8   3   2   1  20   7   9   5
   4  14   7   5   4  14   8   9   5   4   4   3   2   4   2   1
   1   7   3   2   1   9   5   4   3   1   1   1   1   9   5   4
  12   5   4   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    92    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    75    92    93  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    50    54    67    75    76    77    92    93    57  
   38    39    40    41    50    75    92    93  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    66    89    45    46    50    75    92    93  
   40    41    42    43    45    92  
   41    42    43    45    92  
   42    43    44    47    48    49    51    61    66    72    89    90    91    45    46    50    54    92    57    78  
   43    44    47    66    89    45    46    50  
   44    47    48    49    51    52    53    61    62    66    72    73    74    89    45    46    50    78    79    80    81    70  
   47    48    49    51    61    66    72    45    78  
   46    50    54    55    56    63    75    92    93    57    58    59    60    47    66    72    73    74    89    90    91  
   50    54    92    57    72    89    90    91  
   48    49    51    52    53    61    62    66    72    78    70  
   49    51    52    53    61    66  
   51    52    53    61    66  
   54    55    56    63    64    65    67    75    76    77    92    93    57    58    59    60    72    89    90    91  
   52    53    61    62    66    72    78    70    71    82    86  
   53    61    62    66    70  
   61    62    66    70  
   55    56    63    64    65    67    68    69    75    92    93    57    58    59    60    89  
   56    63    64    65    67    92    57  
   63    64    65    67    92    57  
   58    59    60    63    75    89    92    93  
   59    60    92  
   60    92  
   92  
   62    66    72    73    74    89    78    79    80    81    70    71    82    83    84    85    86    87    88    94  
   66    72    78    70    71    82    86  
   64    65    67    68    69    75    76    77    92  
   65    67    68    69    75  
   67    68    69    75  
   72    73    74    89    90    91    78    79    80    81    70    71    82    86  
   68    69    75    76    77    92    93  
   69    75    76    77    92  
   75    76    77    92  
   71    82    83    84    85    86    87    88    94    95    96    97    72    78  
   82    83    84    85    86    87    88    94  
   73    74    89    90    91    78    79    80    81  
   74    89    90    91    78  
   89    90    91    78  
   76    77    92    93  
   77    92    93  
   92    93  
   79    80    81    89  
   80    81  
   81  
    0  
   83    84    85    86    87    88    94  
   84    85    86  
   85    86  
   86  
   87    88    94    95    96    97    98    99   100  
   88    94    95    96    97  
   94    95    96    97  
   90    91    92  
   91  
    0  
   93  
    0  
   95    96    97    98    99   100   101   102   106  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100   101   102   103   104   105   106   107   108   109  
   99   100   101   102   106  
  100   101   102   106  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106   107   108   109  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106  
  107   108   109  
  108   109  
  109  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
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   268.000  1.529
   33    92   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    66   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    70   268.000  1.529
   66    72   268.000  1.529
   66    78   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    45   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    54   268.000  1.529
   50    92   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    92   268.000  1.529
   92    93   570.000  1.307
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   70    71   340.000  1.090
   70    82   268.000  1.529
   70    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   268.000  1.529
  100   106   268.000  1.529
  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
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  111.63000
   29    33    92    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    92    50    58.35000  112.70000
   33    92    75    58.35000  112.70000
   33    92    93    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    66    58.35000  112.70000
   41    45    89    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    50    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    51    58.35000  112.70000
   43    66    61    58.35000  112.70000
   43    66    72    58.35000  112.70000
   43    66    78    58.35000  112.70000
   47    43    44    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    66    58.35000  112.70000
   51    61    70    58.35000  112.70000
   53    51    52    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    53    37.50000  110.70000
   61    66    72    58.35000  112.70000
   61    66    78    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    82    58.35000  112.70000
   61    70    86    58.35000  112.70000
   66    43    44    37.50000  110.70000
   66    43    47    58.35000  112.70000
   66    61    62    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    89    58.35000  112.70000
   66    78    79    37.50000  110.70000
   66    78    80    37.50000  110.70000
   66    78    81    37.50000  110.70000
   72    89    90    37.50000  110.70000
   72    89    91    37.50000  110.70000
   72    89    45    58.35000  112.70000
   74    72    73    33.00000  107.80000
   89    72    73    37.50000  110.70000
   89    72    74    37.50000  110.70000
   89    45    46    37.50000  110.70000
   89    45    50    58.35000  112.70000
   91    89    90    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    89    90    37.50000  110.70000
   45    89    91    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    92    58.35000  112.70000
   45    50    57    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    58.35000  112.70000
   50    92    75    58.35000  112.70000
   50    92    93    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    67    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    75    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    92    58.35000  112.70000
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    92    93    50.00000  109.50000
   77    75    76    33.00000  107.80000
   92    33    34    37.50000  110.70000
   92    33    38    58.35000  112.70000
   92    50    54    58.35000  112.70000
   92    75    76    37.50000  110.70000
   92    75    77    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    50    92    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   78    66    72    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   70    61    62    37.50000  110.70000
   70    61    66    58.35000  112.70000
   70    82    83    37.50000  110.70000
   70    82    84    37.50000  110.70000
   70    82    85    37.50000  110.70000
   70    86    87    37.50000  110.70000
   70    86    88    37.50000  110.70000
   70    86    94    58.35000  112.70000
   82    70    71    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    70    71    37.50000  110.70000
   86    70    82    58.35000  112.70000
   86    94    95    37.50000  110.70000
   86    94    96    37.50000  110.70000
   86    94    97    58.35000  112.70000
   88    86    87    33.00000  107.80000
   94    86    87    37.50000  110.70000
   94    86    88    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    58.35000  112.70000
   97   100   106    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   102   103    37.50000  110.70000
  100   102   104    37.50000  110.70000
  100   102   105    37.50000  110.70000
  100   106   107    37.50000  110.70000
  100   106   108    37.50000  110.70000
  100   106   109    37.50000  110.70000
  102   100   101    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   100   101    37.50000  110.70000
  106   100   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
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
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   67    75    92    33  -0.07550 -1.0 2.0
   67    75    92    33   0.20000  1.0 3.0
   67    75   -92    50   0.56750  1.0 1.0
   67    75   -92    50  -0.07550 -1.0 2.0
   67    75   -92    50   0.20000  1.0 3.0
   67    75    92    93   0.62750  1.0 1.0
   67    75    92    93  -0.30950 -1.0 2.0
   67    75    92    93   0.27300  1.0 3.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    77   0.15000  1.0 3.0
   68    67    75    92   0.15000  1.0 3.0
   69    67    75    76   0.15000  1.0 3.0
   69    67    75    77   0.15000  1.0 3.0
   69    67    75    92   0.15000  1.0 3.0
   76    75    92    33   0.15000  1.0 3.0
   76    75    92    50   0.15000  1.0 3.0
   76    75    92    93   0.23400  1.0 3.0
   77    75    92    33   0.15000  1.0 3.0
   77    75    92    50   0.15000  1.0 3.0
   77    75    92    93   0.23400  1.0 3.0
   92    33    38    39   0.15000  1.0 3.0
   92    33    38    40   0.15000  1.0 3.0
   92    33   -38    41   0.56750  1.0 1.0
   92    33   -38    41  -0.07550 -1.0 2.0
   92    33   -38    41   0.20000  1.0 3.0
   92    50    54    55   0.15000  1.0 3.0
   92    50    54    56   0.15000  1.0 3.0
   92    50   -54    63   0.56750  1.0 1.0
   92    50   -54    63  -0.07550 -1.0 2.0
   92    50   -54    63   0.20000  1.0 3.0
   92    50    57    58   0.15000  1.0 3.0
   92    50    57    59   0.15000  1.0 3.0
   92    50    57    60   0.15000  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    63   0.56750  1.0 1.0
   57    50    54    63  -0.07550 -1.0 2.0
   57    50    54    63   0.20000  1.0 3.0
   57    50    92    33   0.56750  1.0 1.0
   57    50    92    33  -0.07550 -1.0 2.0
   57    50    92    33   0.20000  1.0 3.0
   57    50    92    75   0.56750  1.0 1.0
   57    50    92    75  -0.07550 -1.0 2.0
   57    50    92    75   0.20000  1.0 3.0
   57    50    92    93   0.62750  1.0 1.0
   57    50    92    93  -0.30950 -1.0 2.0
   57    50    92    93   0.27300  1.0 3.0
   78    66    72    73   0.15000  1.0 3.0
   78    66    72    74   0.15000  1.0 3.0
   78    66    72    89   0.56750  1.0 1.0
   78    66    72    89  -0.07550 -1.0 2.0
   78    66    72    89   0.20000  1.0 3.0
   70    61    66    43   0.56750  1.0 1.0
   70    61    66    43  -0.07550 -1.0 2.0
   70    61    66    43   0.20000  1.0 3.0
   70    61    66    72   0.56750  1.0 1.0
   70    61    66    72  -0.07550 -1.0 2.0
   70    61    66    72   0.20000  1.0 3.0
   70    61    66    78   0.56750  1.0 1.0
   70    61    66    78  -0.07550 -1.0 2.0
   70    61    66    78   0.20000  1.0 3.0
   70    86    94    95   0.15000  1.0 3.0
   70    86    94    96   0.15000  1.0 3.0
   70    86    94    97   0.56750  1.0 1.0
   70    86    94    97  -0.07550 -1.0 2.0
   70    86    94    97   0.20000  1.0 3.0
   71    70    82    83   0.15000  1.0 3.0
   71    70    82    84   0.15000  1.0 3.0
   71    70    82    85   0.15000  1.0 3.0
   71    70    86    87   0.15000  1.0 3.0
   71    70    86    88   0.15000  1.0 3.0
   71    70    86    94   0.15000  1.0 3.0
   82    70    86    87   0.15000  1.0 3.0
   82    70    86    88   0.15000  1.0 3.0
   82    70    86    94   0.56750  1.0 1.0
   82    70    86    94  -0.07550 -1.0 2.0
   82    70    86    94   0.20000  1.0 3.0
   86    70    82    83   0.15000  1.0 3.0
   86    70    82    84   0.15000  1.0 3.0
   86    70    82    85   0.15000  1.0 3.0
   86    94    97    98   0.15000  1.0 3.0
   86    94    97    99   0.15000  1.0 3.0
   86    94    97   100   0.56750  1.0 1.0
   86    94    97   100  -0.07550 -1.0 2.0
   86    94    97   100   0.20000  1.0 3.0
   87    86    94    95   0.15000  1.0 3.0
   87    86    94    96   0.15000  1.0 3.0
   87    86    94    97   0.15000  1.0 3.0
   88    86    94    95   0.15000  1.0 3.0
   88    86    94    96   0.15000  1.0 3.0
   88    86    94    97   0.15000  1.0 3.0
   94    97   100   101   0.15000  1.0 3.0
   94    97   100   102   0.56750  1.0 1.0
   94    97   100   102  -0.07550 -1.0 2.0
   94    97   100   102   0.20000  1.0 3.0
   94    97   100   106   0.56750  1.0 1.0
   94    97   100   106  -0.07550 -1.0 2.0
   94    97   100   106   0.20000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.15000  1.0 3.0
   95    94    97   100   0.15000  1.0 3.0
   96    94    97    98   0.15000  1.0 3.0
   96    94    97    99   0.15000  1.0 3.0
   96    94    97   100   0.15000  1.0 3.0
   97   100   102   103   0.15000  1.0 3.0
   97   100   102   104   0.15000  1.0 3.0
   97   100   102   105   0.15000  1.0 3.0
   97   100   106   107   0.15000  1.0 3.0
   97   100   106   108   0.15000  1.0 3.0
   97   100   106   109   0.15000  1.0 3.0
   98    97   100   101   0.15000  1.0 3.0
   98    97   100   102   0.15000  1.0 3.0
   98    97   100   106   0.15000  1.0 3.0
   99    97   100   101   0.15000  1.0 3.0
   99    97   100   102   0.15000  1.0 3.0
   99    97   100   106   0.15000  1.0 3.0
  101   100   102   103   0.15000  1.0 3.0
  101   100   102   104   0.15000  1.0 3.0
  101   100   102   105   0.15000  1.0 3.0
  101   100   106   107   0.15000  1.0 3.0
  101   100   106   108   0.15000  1.0 3.0
  101   100   106   109   0.15000  1.0 3.0
  102   100   106   107   0.15000  1.0 3.0
  102   100   106   108   0.15000  1.0 3.0
  102   100   106   109   0.15000  1.0 3.0
  106   100   102   103   0.15000  1.0 3.0
  106   100   102   104   0.15000  1.0 3.0
  106   100   102   105   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
END
