* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    132    198     393
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02092    32.99985   157.72807
    3     1 S   H    _H1_     3     1.02107    88.00903   -72.42723
    4     1 S   H    _H2_     4     1.02041    92.51318    36.21799
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C10    36     1.85697    97.50111  -158.15662
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   _C9_    37     1.54884   109.86189   179.98022
   38    37 S   HC   _H9_    38     1.10650   109.11394   -24.82309
   39    37 S   HC   _H10    39     1.10712   109.29686  -140.08786
   40    33 S   NTH  _N4_    60     1.46998   106.59068    62.74579
   41    40 S   H    _H11    61     1.01664   108.74866  -161.77305
   42    37 S   CT   _C8_    40     1.54787   115.53873    96.88635
   43    40 S   CT   _C11    62     1.45369   110.61122    77.75955
   44    43 S   HC   _H12    63     1.09671   105.22675    40.00853
   45    42 S   CT   _C7_    41     1.52880   114.16958   -25.26481
   46    45 S   HC   _H7_    42     1.10239   111.40067   -69.25863
   47    45 S   HC   _H8_    43     1.10287   110.46045   171.47327
   48    42 S   CT   _C14    53     1.53343   110.31657  -149.69192
   49    48 S   HC   _H19    54     1.08758   109.55831  -173.18039
   50    48 S   HC   _H20    55     1.08748   109.61271    65.93390
   51    42 S   OH   _O38    58     1.43546   108.70079    93.68817
   52    51 S   HO   _H22    59     0.96869   106.33565    56.42325
   53    43 S   CT   _C12    64     1.52683   109.99243   158.67595
   54    53 S   HC   _H13    65     1.09489   110.79188  -177.66787
   55    53 S   HC   _H14    66     1.09535   111.42494    60.87851
   56    43 S   CT   _C13    69     1.52790   110.26946   -78.52171
   57    56 S   HC   _H16    70     1.09520   111.55897    77.82518
   58    56 S   HC   _H17    71     1.09481   110.69312   -43.57146
   59    45 S   CO4  _C6_    44     1.51643   112.64936    51.06307
   60    59 S   O    _O34    45     1.23233   120.65867   154.95574
   61    48 S   OH   _O37    56     1.41382   108.29787   -53.64989
   62    61 S   HO   _H21    57     0.97319   107.15155   179.97202
   63    53 S   OH   _O35    67     1.42325   109.35758   -59.10685
   64    63 S   HO   _H15    68     0.97049   106.64375  -180.00000
   65    56 S   OH   _O36    72     1.42331   109.38346  -162.10047
   66    65 S   HO   _H18    73     0.97019   106.61956   180.00000
   67    33 S   CT   _C5_    46     1.53590   109.23328   -55.17347
   68    67 S   HC   _H6_    47     1.09847   112.18454    49.28806
   69    67 S   OS   _O33    48     1.42406   112.19745   169.58217
   70    69 S   CT   _C4_    49     1.42233   111.67265  -156.65323
   71    70 S   HC   _H3_    50     1.09227   109.49914  -180.00000
   72    70 S   HC   _H4_    51     1.09318   109.44905    59.25704
   73    70 S   HC   _H5_    52     1.09237   108.97677   -60.37710
  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
  19   2   1   1  19   7   6  16   5  13  12   8  13   6   5   7
   4   3   3   1   8   4   3   5   3   2   5   3   1   1   1   1
   1   1   6   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    67    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    59    67    68    69    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    59    60    67    68    69    70    48    51    40    41    43    44    53    56  
   35    36  
   36  
    0  
   38    39    42    45    46    47    59    67    68    69    48    49    50    61    51    52    40    41    43  
   39    42    45    67    48    51    40  
   42    45    67    48    51    40  
   41    43    44    53    54    55    63    56    57    58    65    42    59    67    68    69  
   43    44    53    56    67  
   45    46    47    59    60    67    48    49    50    61    62    51    52  
   44    53    54    55    63    64    56    57    58    65    66    67  
   53    54    55    63    56    57    58    65  
   46    47    59    60    67    68    69    48    49    50    61    51    52  
   47    59    60    67    48    51  
   59    60    67    48    51  
   49    50    61    62    51    52    59  
   50    61    62    51  
   61    62    51  
   52    59    61  
    0  
   54    55    63    64    56    57    58    65  
   55    63    64    56  
   63    64    56  
   57    58    65    66    63  
   58    65    66  
   65    66  
   60    67    68    69    70  
   67    68    69  
   62  
    0  
   64  
    0  
   66  
    0  
   68    69    70    71    72    73  
   69    70  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   0.367500   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   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   41   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   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    67   268.000  1.529
   33    40   305.000  1.454
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    45   268.000  1.529
   42    48   268.000  1.529
   42    51   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    59   317.000  1.522
   59    60   570.000  1.229
   59    67   317.000  1.522
   67    68   340.000  1.090
   67    69   320.000  1.410
   69    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    61   320.000  1.410
   61    62   553.000  0.945
   51    52   553.000  0.945
   40    41   500.000  1.015
   40    43   305.000  1.454
   43    44   340.000  1.090
   43    53   268.000  1.529
   43    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    63   320.000  1.410
   63    64   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    65   320.000  1.410
   65    66   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    67    75.00000  111.63000
   29    33    40    85.00000  109.00000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    67    59    63.00000  111.10000
   33    67    68    37.50000  110.70000
   33    67    69    50.00000  109.50000
   33    40    41    50.00000  109.23200
   33    40    43    75.00000  112.02600
   37    42    45    58.35000  112.70000
   37    42    48    58.35000  112.70000
   37    42    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    59    63.00000  111.10000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    61    50.00000  109.50000
   42    51    52    55.00000  108.50000
   45    59    60    80.00000  120.40000
   45    59    67    70.00000  116.00000
   47    45    46    33.00000  107.80000
   59    45    46    35.00000  109.50000
   59    45    47    35.00000  109.50000
   59    67    68    35.00000  109.50000
   59    67    69    90.00000  108.74100
   67    33    37    58.35000  112.70000
   67    59    60    80.00000  120.40000
   67    69    70    60.00000  109.50000
   69    67    68    35.00000  109.50000
   69    70    71    35.00000  109.50000
   69    70    72    35.00000  109.50000
   69    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   48    42    45    58.35000  112.70000
   48    61    62    55.00000  108.50000
   50    48    49    33.00000  107.80000
   61    48    49    35.00000  109.50000
   61    48    50    35.00000  109.50000
   51    42    45    50.00000  109.50000
   51    42    48    50.00000  109.50000
   40    33    37    80.00000  111.29100
   40    33    67    80.00000  111.29100
   40    43    44    50.00000  110.59500
   40    43    53    80.00000  111.29100
   40    43    56    80.00000  111.29100
   43    40    41    50.00000  109.23200
   43    53    54    37.50000  110.70000
   43    53    55    37.50000  110.70000
   43    53    63    50.00000  109.50000
   43    56    57    37.50000  110.70000
   43    56    58    37.50000  110.70000
   43    56    65    50.00000  109.50000
   53    43    44    37.50000  110.70000
   53    63    64    55.00000  108.50000
   55    53    54    33.00000  107.80000
   63    53    54    35.00000  109.50000
   63    53    55    35.00000  109.50000
   56    43    44    37.50000  110.70000
   56    43    53    58.35000  112.70000
   56    65    66    55.00000  108.50000
   58    56    57    33.00000  107.80000
   65    56    57    35.00000  109.50000
   65    56    58    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   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
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    67   0.01700  1.0 1.0
   24    29    33    67  -0.23550 -1.0 2.0
   24    29    33    67   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    67    59   0.56750  1.0 1.0
   29    33    67    59  -0.07550 -1.0 2.0
   29    33    67    59   0.20000  1.0 3.0
   29    33    67    68   0.15000  1.0 3.0
   29    33    67    69   0.56750  1.0 1.0
   29    33    67    69  -0.07550 -1.0 2.0
   29    33    67    69   0.20000  1.0 3.0
   29    33    40    41  -0.05900  1.0 1.0
   29    33    40    41   0.08350 -1.0 2.0
   29    33    40    41   0.12500  1.0 3.0
   29    33    40    43   0.23200  1.0 1.0
   29    33    40    43   0.02100 -1.0 2.0
   29    33    40    43   0.24950  1.0 3.0
   33    37    42    45   0.56750  1.0 1.0
   33    37    42    45  -0.07550 -1.0 2.0
   33    37    42    45   0.20000  1.0 3.0
   33    37    42    48   0.56750  1.0 1.0
   33    37    42    48  -0.07550 -1.0 2.0
   33    37    42    48   0.20000  1.0 3.0
   33    37    42    51   0.86500  1.0 1.0
   33    37    42    51  -0.17500 -1.0 2.0
   33    37    42    51   0.20800  1.0 3.0
   33    67    69    70   0.06250  1.0 1.0
   33    67    69    70  -0.01100 -1.0 2.0
   33    67    69    70   0.28050  1.0 3.0
   33    40    43    44   0.28000  1.0 3.0
   33    40    43    53  -0.35450  1.0 1.0
   33    40    43    53   0.44050 -1.0 2.0
   33    40    43    53   0.77100  1.0 3.0
   33    40    43    56  -0.35450  1.0 1.0
   33    40    43    56   0.44050 -1.0 2.0
   33    40    43    56   0.77100  1.0 3.0
   37    33    67    59  -0.95700  1.0 1.0
   37    33    67    59  -0.18200 -1.0 2.0
   37    33    67    59   0.29450  1.0 3.0
   37    33    67    68   0.15000  1.0 3.0
   37    33    67    69   0.62750  1.0 1.0
   37    33    67    69  -0.30950 -1.0 2.0
   37    33    67    69   0.27300  1.0 3.0
   37    33    40    41   0.03200  1.0 1.0
   37    33    40    41   0.33800 -1.0 2.0
   37    33    40    43  -0.35450  1.0 1.0
   37    33    40    43   0.44050 -1.0 2.0
   37    33    40    43   0.77100  1.0 3.0
   37    42    45    46   0.15000  1.0 3.0
   37    42    45    47   0.15000  1.0 3.0
   37    42   -45    59  -0.95700  1.0 1.0
   37    42   -45    59  -0.18200 -1.0 2.0
   37    42   -45    59   0.29450  1.0 3.0
   37    42    48    49   0.15000  1.0 3.0
   37    42    48    50   0.15000  1.0 3.0
   37    42    48    61   0.86500  1.0 1.0
   37    42    48    61  -0.17500 -1.0 2.0
   37    42    48    61   0.20800  1.0 3.0
   37    42    51    52  -0.11600  1.0 1.0
   37    42    51    52  -0.09450 -1.0 2.0
   37    42    51    52   0.21250  1.0 3.0
   38    37    42    45   0.15000  1.0 3.0
   38    37    42    48   0.15000  1.0 3.0
   38    37    42    51   0.23400  1.0 3.0
   39    37    42    45   0.15000  1.0 3.0
   39    37    42    48   0.15000  1.0 3.0
   39    37    42    51   0.23400  1.0 3.0
   42    45    59    60   0.30150 -1.0 2.0
   42    45    59    67   0.60050  1.0 1.0
   42    45    59    67   0.05600 -1.0 2.0
   42    45    59    67   0.26150  1.0 3.0
   42    48    61    62  -0.11600  1.0 1.0
   42    48    61    62  -0.09450 -1.0 2.0
   42    48    61    62   0.21250  1.0 3.0
   45    42    48    49   0.15000  1.0 3.0
   45    42    48    50   0.15000  1.0 3.0
   45    42    48    61   0.86500  1.0 1.0
   45    42    48    61  -0.17500 -1.0 2.0
   45    42    48    61   0.20800  1.0 3.0
   45    42    51    52  -0.11600  1.0 1.0
   45    42    51    52  -0.09450 -1.0 2.0
   45    42    51    52   0.21250  1.0 3.0
   45    59   -67    33   0.60050  1.0 1.0
   45    59   -67    33   0.05600 -1.0 2.0
   45    59   -67    33   0.26150  1.0 3.0
   45    59    67    68   0.00000  1.0 1.0
   45    59    67    69   0.55300  1.0 1.0
   45    59    67    69   1.25850 -1.0 2.0
   45    59    67    69  -0.23600  1.0 3.0
   46    45    59    60   0.00000  1.0 1.0
   46    45    59    67   0.00000  1.0 1.0
   47    45    59    60   0.00000  1.0 1.0
   47    45    59    67   0.00000  1.0 1.0
   59    67    69    70  -1.11000  1.0 1.0
   59    67    69    70   0.50250 -1.0 2.0
   59    67    69    70   0.47450  1.0 3.0
   60    59    67    33   0.30150 -1.0 2.0
   60    59    67    68   0.00000  1.0 1.0
   60    59    67    69   0.30150 -1.0 2.0
   67    33    37    38   0.15000  1.0 3.0
   67    33    37    39   0.15000  1.0 3.0
   67    33   -37    42   0.56750  1.0 1.0
   67    33   -37    42  -0.07550 -1.0 2.0
   67    33   -37    42   0.20000  1.0 3.0
   67    33    40    41   0.03200  1.0 1.0
   67    33    40    41   0.33800 -1.0 2.0
   67    33    40    43  -0.35450  1.0 1.0
   67    33    40    43   0.44050 -1.0 2.0
   67    33    40    43   0.77100  1.0 3.0
   67    69    70    71   0.37050  1.0 3.0
   67    69    70    72   0.37050  1.0 3.0
   67    69    70    73   0.37050  1.0 3.0
   68    67    69    70   0.37050  1.0 3.0
   48    42    45    46   0.15000  1.0 3.0
   48    42    45    47   0.15000  1.0 3.0
   48    42    45    59  -0.95700  1.0 1.0
   48    42    45    59  -0.18200 -1.0 2.0
   48    42    45    59   0.29450  1.0 3.0
   48    42    51    52  -0.11600  1.0 1.0
   48    42    51    52  -0.09450 -1.0 2.0
   48    42    51    52   0.21250  1.0 3.0
   49    48    61    62   0.19450  1.0 3.0
   50    48    61    62   0.19450  1.0 3.0
   51    42    45    46   0.23400  1.0 3.0
   51    42    45    47   0.23400  1.0 3.0
   51    42    45    59  -0.09450  1.0 1.0
   51    42    45    59  -1.12950 -1.0 2.0
   51    42    45    59   0.54000  1.0 3.0
   51    42    48    49   0.23400  1.0 3.0
   51    42    48    50   0.23400  1.0 3.0
   51    42    48    61   3.75450  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   1.85550  1.0 1.0
   40    33    37    42  -0.84100 -1.0 2.0
   40    33    67    59  -3.56550  1.0 1.0
   40    33    67    59  -0.67500 -1.0 2.0
   40    33    67    59   1.11300  1.0 3.0
   40    33    67    68   0.15000  1.0 3.0
   40    33    67    69   2.34900  1.0 1.0
   40    33    67    69  -0.83700 -1.0 2.0
   40    43    53    54   0.15000  1.0 3.0
   40    43    53    55   0.15000  1.0 3.0
   40    43    53    63   4.49050  1.0 1.0
   40    43    56    57   0.15000  1.0 3.0
   40    43    56    58   0.15000  1.0 3.0
   40    43    56    65   4.49050  1.0 1.0
   41    40    43    44   0.20000  1.0 3.0
   41    40    43    53   0.03200  1.0 1.0
   41    40    43    53   0.33800 -1.0 2.0
   41    40    43    56   0.03200  1.0 1.0
   41    40    43    56   0.33800 -1.0 2.0
   43    53    63    64  -0.11600  1.0 1.0
   43    53    63    64  -0.09450 -1.0 2.0
   43    53    63    64   0.21250  1.0 3.0
   43    56    65    66  -0.11600  1.0 1.0
   43    56    65    66  -0.09450 -1.0 2.0
   43    56    65    66   0.21250  1.0 3.0
   44    43    53    54   0.15000  1.0 3.0
   44    43    53    55   0.15000  1.0 3.0
   44    43    53    63   0.23400  1.0 3.0
   44    43    56    57   0.15000  1.0 3.0
   44    43    56    58   0.15000  1.0 3.0
   44    43    56    65   0.23400  1.0 3.0
   53    43    56    57   0.15000  1.0 3.0
   53    43    56    58   0.15000  1.0 3.0
   53    43    56    65   0.86500  1.0 1.0
   53    43    56    65  -0.17500 -1.0 2.0
   53    43    56    65   0.20800  1.0 3.0
   54    53    63    64   0.19450  1.0 3.0
   55    53    63    64   0.19450  1.0 3.0
   56    43    53    54   0.15000  1.0 3.0
   56    43    53    55   0.15000  1.0 3.0
   56    43    53    63   0.86500  1.0 1.0
   56    43    53    63  -0.17500 -1.0 2.0
   56    43    53    63   0.20800  1.0 3.0
   57    56    65    66   0.19450  1.0 3.0
   58    56    65    66   0.19450  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
   45    67    59    60  10.50000 -1.0 2.0
END
