* LIGAND DATABASE FILE (OPLS2005)
*
001     105   107    205    322     617
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02078   105.83789    -2.04555
    3     1 S   H    _H1_     3     1.02114    48.80893    99.20116
    4     1 S   H    _H2_     4     1.02087    63.60550  -105.37951
    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     1.84973    97.23843   161.84306
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C8_    37     1.53990   107.62760    57.77079
   38    37 S   HC   _H36    38     1.09674   110.78714    58.48919
   39    37 S   HC   _H37    39     1.09861   110.86503   -59.00860
   40    33 S   CM   _C4_    86     1.51149   104.79313   -59.99210
   41    40 S   HC   _H31    87     1.08986   113.98871   115.74975
   42    37 S   CT   _C6_    40     1.53131   112.45218   179.93147
   43    42 S   HC   _H32    41     1.09447   108.26322    68.75872
   44    42 S   HC   _H33    42     1.09562   107.56358  -176.54056
   45    40 S   CMA  _C5_    88     1.35410   127.31491   -64.30265
   46    45 S   OM   _O26    89     1.26944   125.53835  -179.98022
   47    42 S   CT   _C11    43     1.54556   113.46815   -54.46234
   48    47 S   HC   _H42    44     1.10012   106.05489   -64.79194
   49    45 S   OS   _O29    90     1.42393   109.25256    -0.23239
   50    47 S   CT   _C13    45     1.55831   110.98446    50.96744
   51    50 S   HC   _H44    46     1.09753   108.02604    64.17646
   52    49 S   CT   _C27    91     1.42759   115.94572  -150.03688
   53    52 S   HC   _H68    92     1.09432   108.01996   -80.01912
   54    52 S   HC   _H69    93     1.09484   108.75982    38.20169
   55    33 S   CT   _C14    47     1.56457   112.82027   179.17837
   56    55 S   HC   _H45    48     1.09859   107.44601    66.35022
   57    50 S   CT   _C16    53     1.54438   111.46058  -179.69226
   58    57 S   HC   _H47    54     1.09539   111.00643    69.37179
   59    52 S   CT   _C26    94     1.51847   109.37405   160.23857
   60    59 S   HC   _H66    95     1.09453   111.27574   -61.81116
   61    59 S   HC   _H67    96     1.09450   110.35333    59.42701
   62    55 S   CT   _C20    49     1.54405   113.60920   -50.44761
   63    62 S   HC   _H48    50     1.08363   109.00164   -62.29742
   64    62 S   HC   _H49    51     1.08336   109.01222   177.73929
   65    62 S   HC   _H50    52     1.08372   109.03664    57.68661
   66    57 S   CT   _C10    55     1.52923   113.01150   -50.82234
   67    66 S   HC   _H40    56     1.09525   110.07467   -68.59303
   68    66 S   HC   _H41    57     1.09467   107.38619   177.77024
   69    57 S   OH   _O28    84     1.42555   110.41238  -171.14454
   70    69 S   HO   _H71    85     0.96975   106.45552  -176.38946
   71    59 S   NT   _N25    97     1.48058   109.59510   178.44997
   72    66 S   CT   _C12    58     1.53927   111.02466    55.79566
   73    72 S   HC   _H43    59     1.10268   105.36602    51.26710
   74    71 S   CT   _C24    98     1.45604   109.79649  -158.48459
   75    74 S   HC   _H60    99     1.09312   110.05945    58.34157
   76    74 S   HC   _H61   100     1.09345   110.22096   -61.62673
   77    74 S   HC   _H62   101     1.09235   110.25416   178.35016
   78    71 S   CT   _C25   102     1.45633   109.73709    79.03009
   79    78 S   HC   _H63   103     1.09209   110.15928   -58.33109
   80    78 S   HC   _H64   104     1.09351   110.17727  -178.34011
   81    78 S   HC   _H65   105     1.09345   110.21071    61.70651
   82    47 S   CT   _C18    60     1.59106   113.45548   178.92044
   83    82 S   CT   _C9_    61     1.55160   109.48813    58.94029
   84    83 S   HC   _H38    62     1.09823   109.47532    47.36110
   85    83 S   HC   _H39    63     1.09622   110.64329   -69.55098
   86    82 S   CT   _C21    80     1.54956   109.83499   -59.75207
   87    86 S   HC   _H51    81     1.08167   108.70991   -60.53721
   88    86 S   HC   _H52    82     1.08162   108.71535   179.48452
   89    86 S   HC   _H53    83     1.08156   108.67488    59.47891
   90    83 S   CT   _C7_    64     1.52274   113.64275   168.78878
   91    90 S   HC   _H34    65     1.09620   111.16219    66.51441
   92    90 S   HC   _H35    66     1.09883   109.07864  -178.55220
   93    90 S   CT   _C15    67     1.52378   111.88200   -57.83112
   94    93 S   HC   _H46    68     1.09875   107.63044   -64.57835
   95    72 S   CT   _C19    69     1.57881   114.52969   164.34535
   96    93 S   OH   _O27    78     1.42753   107.15870  -179.26299
   97    96 S   HO   _H70    79     0.96830   106.44078    59.95819
   98    95 S   CT   _C22    70     1.54267   114.40604    53.65301
   99    98 S   HC   _H54    71     1.08379   109.01372  -179.95577
  100    98 S   HC   _H55    72     1.08299   109.02046    60.00853
  101    98 S   HC   _H56    73     1.08352   109.04059   -59.99901
  102    95 S   CT   _C23    74     1.55736   108.74960   -64.24486
  103   102 S   HC   _H57    75     1.07859   108.28792   179.97202
  104   102 S   HC   _H58    76     1.07986   108.31818    60.03786
  105   102 S   HC   _H59    77     1.07905   108.33383   -59.97734
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  21   2   1   1  15   7   6  10   4  12   5   4   7   2  22   8
   7  18   8   8   5   4  10   5  11   6  11   4   3   3   2   1
   1  13   6   5   2   1   8  22   7   7   3   2   1   3   2   1
   1  14  13   6   5   5   2   1   1   9   5   4  12   5  10   3
   1   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    55    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    55    56    62    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    47    50    51    55    56    62    63    64    65    57    40    41    45    46    49  
   35    36  
   36  
    0  
   38    39    42    43    44    47    48    50    55    56    62    82    40    41    45  
   39    42    43    44    47    55    40  
   42    43    44    47    55    40  
   41    45    46    49    52    42    50    55    56    62  
   45    46    49    55  
   43    44    47    48    50    51    55    57    72    82    83    86  
   44    47    48    50    82  
   47    48    50    82  
   46    49    52    53    54    59    55  
   49    52  
   48    50    51    55    56    62    57    58    66    72    73    82    83    84    85    90    95    86    87    88    89    69  
   50    51    55    57    72    82    83    86  
   52    53    54    59    60    61    71  
   51    55    56    62    63    64    65    57    58    66    67    68    72    82    83    86    69    70  
   55    56    62    57    58    66    82    69  
   53    54    59    60    61    71    74    78  
   54    59    60    61    71  
   59    60    61    71  
   56    62    63    64    65    57    58    66    82    69  
   62    63    64    65    57  
   58    66    67    68    72    73    82    95    69    70    62  
   66    67    68    72    69    70  
   60    61    71    74    75    76    77    78    79    80    81  
   61    71    74    78  
   71    74    78  
   63    64    65  
   64    65  
   65  
    0  
   67    68    72    73    82    83    93    95    98   102    86    69    70  
   68    72    73    82    95    69  
   72    73    82    95    69  
   70    72  
    0  
   74    75    76    77    78    79    80    81  
   73    82    83    84    85    90    93    94    95    98    99   100   101   102   103   104   105    96    86    87    88    89  
   82    83    93    95    98   102    86  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    90    91    92    93    95    98   102    86    87    88    89  
   84    85    90    91    92    93    94    95    96    86    87    88    89  
   85    90    91    92    93    86  
   90    91    92    93    86  
   87    88    89    90    95  
   88    89  
   89  
    0  
   91    92    93    94    95    98   102    96    97  
   92    93    94    95    96  
   93    94    95    96  
   94    95    98    99   100   101   102   103   104   105    96    97  
   95    98   102    96    97  
   98    99   100   101   102   103   104   105    96    97  
   97    98   102  
    0  
   99   100   101   102   103   104   105  
  100   101   102  
  101   102  
  102  
  103   104   105  
  104   105  
  105  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   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
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    55   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    82   268.000  1.529
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    57   268.000  1.529
   55    56   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   57    58   340.000  1.090
   57    66   268.000  1.529
   57    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    82   268.000  1.529
   72    95   268.000  1.529
   82    83   268.000  1.529
   82    86   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   268.000  1.529
   93    96   320.000  1.410
   95    98   268.000  1.529
   95   102   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   96    97   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   69    70   553.000  0.945
   40    41   340.000  1.080
   40    45   465.000  1.376
   45    46   745.000  1.250
   45    49   440.000  1.360
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    71   382.000  1.448
   71    74   382.000  1.448
   71    78   382.000  1.448
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    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    55    75.00000  111.63000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    55    50    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    62    58.35000  112.70000
   33    40    41    35.00000  117.00000
   33    40    45    70.00000  124.00000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    50    58.35000  112.70000
   42    47    82    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    55    58.35000  112.70000
   47    50    57    58.35000  112.70000
   47    82    72    58.35000  112.70000
   47    82    83    58.35000  112.70000
   47    82    86    58.35000  112.70000
   50    47    48    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    62    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    66    58.35000  112.70000
   50    57    69    50.00000  109.50000
   55    33    37    58.35000  112.70000
   55    50    51    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    37.50000  110.70000
   62    55    56    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    55    58.35000  112.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    72    58.35000  112.70000
   57    69    70    55.00000  108.50000
   66    57    58    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    82    58.35000  112.70000
   66    72    95    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    82    83    58.35000  112.70000
   72    82    86    58.35000  112.70000
   72    95    93    58.35000  112.70000
   72    95    98    58.35000  112.70000
   72    95   102    58.35000  112.70000
   82    47    48    37.50000  110.70000
   82    47    50    58.35000  112.70000
   82    72    73    37.50000  110.70000
   82    83    84    37.50000  110.70000
   82    83    85    37.50000  110.70000
   82    83    90    58.35000  112.70000
   82    86    87    37.50000  110.70000
   82    86    88    37.50000  110.70000
   82    86    89    37.50000  110.70000
   83    90    91    37.50000  110.70000
   83    90    92    37.50000  110.70000
   83    90    93    58.35000  112.70000
   85    83    84    33.00000  107.80000
   90    83    84    37.50000  110.70000
   90    83    85    37.50000  110.70000
   90    93    94    37.50000  110.70000
   90    93    95    58.35000  112.70000
   90    93    96    50.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    95    98    58.35000  112.70000
   93    95   102    58.35000  112.70000
   93    96    97    55.00000  108.50000
   95    72    73    37.50000  110.70000
   95    72    82    58.35000  112.70000
   95    93    94    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    37.50000  110.70000
   95   102   103    37.50000  110.70000
   95   102   104    37.50000  110.70000
   95   102   105    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    95    98    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   96    93    94    35.00000  109.50000
   96    93    95    50.00000  109.50000
   86    82    83    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   69    57    58    35.00000  109.50000
   69    57    66    50.00000  109.50000
   40    33    37    70.00000  112.02700
   40    33    55    70.00000  112.02700
   40    45    46    65.00000  137.10300
   40    45    49    80.00000  120.01400
   45    40    41    40.00000  120.50800
   45    49    52    90.00000  111.18400
   49    45    46    65.00000  121.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    59    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    71    56.20000  109.47000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    71    74    51.80000  107.20000
   59    71    78    51.80000  107.20000
   61    59    60    33.00000  107.80000
   71    59    60    35.00000  109.50000
   71    59    61    35.00000  109.50000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    71    74    51.80000  107.20000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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
   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
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
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   45    49    52    53   0.08050  1.0 3.0
   45    49    52    54   0.08050  1.0 3.0
   45    49    52    59  -0.46850  1.0 1.0
   45    49    52    59   0.09300 -1.0 2.0
   45    49    52    59  -0.12850  1.0 3.0
   46    45    49    52   2.00000 -1.0 2.0
   49    52    59    60   0.23400  1.0 3.0
   49    52    59    61   0.23400  1.0 3.0
   49    52    59    71   1.74050  1.0 1.0
   52    59    71    74   0.23450  1.0 1.0
   52    59    71    74   0.02050 -1.0 2.0
   52    59    71    74   0.25250  1.0 3.0
   52    59    71    78   0.23450  1.0 1.0
   52    59    71    78   0.02050 -1.0 2.0
   52    59    71    78   0.25250  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    71   0.15000  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    71   0.15000  1.0 3.0
   59    71    74    75   0.28000  1.0 3.0
   59    71    74    76   0.28000  1.0 3.0
   59    71    74    77   0.28000  1.0 3.0
   59    71    78    79   0.28000  1.0 3.0
   59    71    78    80   0.28000  1.0 3.0
   59    71    78    81   0.28000  1.0 3.0
   60    59    71    74   0.28000  1.0 3.0
   60    59    71    78   0.28000  1.0 3.0
   61    59    71    74   0.28000  1.0 3.0
   61    59    71    78   0.28000  1.0 3.0
   74    71    78    79   0.28000  1.0 3.0
   74    71    78    80   0.28000  1.0 3.0
   74    71    78    81   0.28000  1.0 3.0
   78    71    74    75   0.28000  1.0 3.0
   78    71    74    76   0.28000  1.0 3.0
   78    71    74    77   0.28000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    41    40    45  15.00000 -1.0 2.0
   46    49    45    40  15.00000 -1.0 2.0
END
