* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    131    222     394
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02091    49.20192    98.44330
    3     1 S   H    _H1_     3     1.02178    63.12414  -106.02119
    4     1 S   H    _H2_     4     1.02037   105.95026    -2.75044
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C12    36     1.87445    98.14225   161.74863
   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   CM   _C14    37     1.54760   109.80035    40.06439
   38    33 S   CO4  _C13    55     1.54254   106.13336   159.37865
   39    38 S   O    _O34    56     1.22894   122.98556  -100.79312
   40    37 S   CM   _C19    38     1.40086   121.89492    56.65701
   41    38 S   CA   _C8_    57     1.48768   118.66287    77.41171
   42    40 S   CM   _C18    39     1.39204   119.49367  -179.84677
   43    41 S   CA   _C9_    58     1.39705   121.38034    11.46807
   44    42 S   CM   _C17    40     1.39976   120.34721     0.03426
   45    42 S   CMA  _C23    47     1.46674   119.94844  -180.00000
   46    45 S   OM   _O36    48     1.22436   123.01649   179.92338
   47    43 S   CA   _C4_    59     1.40042   120.18651  -178.03596
   48    47 S   HA   _H4_    60     1.08718   120.91515  -179.79826
   49    43 S   CO4  _C10    69     1.47650   120.48514     2.64752
   50    49 S   O    _O33    70     1.22655   120.50135  -168.96347
   51    44 S   CM   _C16    41     1.39442   119.92584    -0.04423
   52    51 S   HC   _H6_    42     1.08973   118.88911   179.88809
   53    44 S   OH   _O38    45     1.36371   122.69368   179.98022
   54    53 S   HO   _H8_    46     0.96914   110.13824    -0.02798
   55    45 S   CM   _C22    49     1.47576   117.39800     0.01978
   56    55 S   HC   _H7_    50     1.08935   114.54987   179.94405
   57    47 S   CA   _C5_    61     1.39437   119.95665    -0.50202
   58    33 S   CT   _C11    71     1.54847   107.99213   -85.06030
   59    58 S   HC   _H3_    72     1.09248   110.45217   178.93762
   60    37 S   CO4  _C15    43     1.39620   117.89922  -123.16273
   61    60 S   O    _O39    44     1.28363   121.47161    -0.17694
   62    55 S   CMA  _C21    51     1.34505   125.71335    -0.00000
   63    62 S   OM   _O37    52     1.26419   128.51479   179.95577
   64    57 S   CA   _C6_    62     1.39275   120.04943    -0.01978
   65    64 S   HA   _H5_    63     1.08757   119.86506  -179.97202
   66    57 S   OH   _O42    67     1.36132   119.95518  -179.77971
   67    66 S   HO   _H11    68     0.97049   110.28248    -0.02798
   68    58 S   OH   _O40    73     1.42227   111.18889    60.16040
   69    68 S   HO   _H9_    74     0.97074   106.79472   175.07721
   70    40 S   CO4  _C20    53     1.47918   119.57646     0.12511
   71    70 S   O    _O35    54     1.22961   120.86235     0.04846
   72    41 S   CA   _C7_    64     1.40074   119.11972  -167.28718
   73    72 S   OH   _O41    65     1.36458   123.00516    -1.49305
   74    73 S   HO   _H10    66     0.96971   110.09541    -0.14804
  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  11   5   4   3
  18   2   1   1  18  13   4  14  12  13  12  10   8   3  10   4
   7   3   5   3   2   1   5   3   6   4   2   2   1   3   2   6
   3   2   1   1   1   1   1   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    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    60    38    39    41    49    58    59    68  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    51    60    61    70    38    39    41    43    72    49    50    58    59    68    69  
   35    36  
   36  
    0  
   40    42    44    51    52    60    61    45    62    70    71    38    39    41    49    58    59    68  
   39    41    43    47    64    72    73    49    58    59    68    40    60  
   41    43    72    58  
   42    44    51    60    61    53    45    46    55    62    63    70    71    58  
   43    47    48    57    64    65    72    73    74    49    50    58  
   44    51    52    60    53    54    45    46    55    56    62    70    71  
   47    48    57    64    72    73    66    49    50    58    59    68  
   51    52    60    61    53    54    45    46    55    70  
   46    55    56    62    63    70    51    53  
   55    56    62  
   48    57    64    65    72    66    67    49    50    58  
   57    64    66    49  
   50    58    59    68    69    57    72  
   58    59    68  
   52    60    61    53    54  
   60    61    53  
   54    60  
    0  
   56    62    63    70    71  
   62    63    70  
   64    65    72    73    66    67  
   59    68    69    60  
   68    69  
   61    70  
    0  
   63    70    71  
   70    71  
   65    72    73    74    66    67  
   72    73    66  
   67    72  
    0  
   69  
    0  
   71  
    0  
   73    74  
   74  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -1.317400   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    38   317.000  1.522
   33    58   268.000  1.529
   37    40   549.000  1.340
   37    60   320.000  1.462
   40    42   380.000  1.444
   40    70   320.000  1.462
   42    44   380.000  1.444
   42    45   465.000  1.376
   44    51   549.000  1.340
   44    53   510.000  1.338
   51    52   340.000  1.080
   51    60   320.000  1.462
   60    61   570.000  1.229
   53    54   553.000  0.945
   45    46   745.000  1.250
   45    55   465.000  1.376
   55    56   340.000  1.080
   55    62   465.000  1.376
   62    63   745.000  1.250
   62    70   270.000  1.476
   70    71   570.000  1.229
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    43   469.000  1.400
   41    72   469.000  1.400
   43    47   469.000  1.400
   43    49   310.000  1.470
   47    48   367.000  1.080
   47    57   469.000  1.400
   57    64   469.000  1.400
   57    66   450.000  1.364
   64    65   367.000  1.080
   64    72   469.000  1.400
   72    73   450.000  1.364
   73    74   553.000  0.945
   66    67   553.000  0.945
   49    50   570.000  1.229
   49    58   317.000  1.522
   58    59   340.000  1.090
   58    68   320.000  1.410
   68    69   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  112.20000
   29    33    38    75.00000  110.18000
   29    33    58    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    60    65.00000  116.34900
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    58    49    63.00000  111.10000
   33    58    59    37.50000  110.70000
   33    58    68    50.00000  109.50000
   37    40    42    70.00000  123.01800
   37    40    70    65.00000  118.96000
   37    60    51    65.00000  118.65900
   37    60    61    80.00000  123.72100
   40    42    44    70.00000  123.01800
   40    42    45    70.00000  117.34000
   40    70    62    65.00000  118.65900
   40    70    71    80.00000  123.72100
   42    44    51    70.00000  123.01800
   42    44    53    80.00000  121.38400
   42    45    46    65.00000  137.10300
   42    45    55    70.00000  123.01800
   44    51    52    35.00000  120.00000
   44    51    60    65.00000  118.96000
   44    53    54    70.00000  107.45700
   51    60    61    80.00000  123.72100
   60    37    40    65.00000  118.96000
   60    51    52    40.00000  117.72500
   53    44    51    80.00000  121.38400
   45    42    44    70.00000  117.34000
   45    55    56    40.00000  120.50800
   45    55    62    70.00000  117.34000
   55    45    46    65.00000  137.10300
   55    62    63    65.00000  137.10300
   55    62    70    65.00000  114.61000
   62    55    56    40.00000  120.50800
   62    70    71    80.00000  120.81000
   70    40    42    65.00000  118.96000
   70    62    63    85.00000  116.28000
   38    33    37    70.00000  109.06800
   38    41    43    60.00000  119.52600
   38    41    72    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    43    47    63.00000  120.00000
   41    43    49    60.00000  119.52600
   41    72    64    63.00000  120.00000
   41    72    73    70.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    57    63.00000  120.00000
   43    49    50    75.00000  123.78400
   43    49    58    65.00000  115.47100
   47    57    64    63.00000  120.00000
   47    57    66    70.00000  120.00000
   57    47    48    35.00000  120.00000
   57    64    65    35.00000  120.00000
   57    64    72    63.00000  120.00000
   57    66    67    35.00000  113.00000
   64    72    73    70.00000  120.00000
   72    41    43    63.00000  120.00000
   72    64    65    35.00000  120.00000
   72    73    74    35.00000  113.00000
   66    57    64    70.00000  120.00000
   49    43    47    60.00000  119.52600
   49    58    59    35.00000  109.50000
   49    58    68    90.00000  109.61100
   58    33    37    70.00000  112.02700
   58    33    38    63.00000  111.10000
   58    49    50    80.00000  120.40000
   58    68    69    55.00000  108.50000
   68    58    59    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    60   0.09700  1.0 1.0
   29    33    37    60   0.15600 -1.0 2.0
   29    33    37    60  -0.50800  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    58    49   0.56750  1.0 1.0
   29    33    58    49  -0.07550 -1.0 2.0
   29    33    58    49   0.20000  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    68   0.56750  1.0 1.0
   29    33    58    68  -0.07550 -1.0 2.0
   29    33    58    68   0.20000  1.0 3.0
   33    37    40    42   7.00000 -1.0 2.0
   33    37    40    70   7.00000 -1.0 2.0
   33    37    60    51   1.50000 -1.0 2.0
   33    37    60    61  -0.64400  1.0 1.0
   33    37    60    61   0.26850 -1.0 2.0
   33    38    41    43   2.26350  1.0 1.0
   33    38    41    43   0.76750 -1.0 2.0
   33    38    41    43   0.22500  1.0 3.0
   33    38    41    72   2.26350  1.0 1.0
   33    38    41    72   0.76750 -1.0 2.0
   33    38    41    72   0.22500  1.0 3.0
   33    58    68    69  -0.11600  1.0 1.0
   33    58    68    69  -0.09450 -1.0 2.0
   33    58    68    69   0.21250  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    41   0.65300  1.0 1.0
   37    33    38    41  -0.03850 -1.0 2.0
   37    33    38    41   0.33900  1.0 3.0
   37    33    58    49  -0.98800  1.0 1.0
   37    33    58    49   0.48800 -1.0 2.0
   37    33    58    49   0.76800  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    68   1.05650  1.0 1.0
   37    33    58    68   0.15600 -1.0 2.0
   37    33    58    68   0.53150  1.0 3.0
   37    40    42    44   0.28850  1.0 1.0
   37    40    42    44   2.61350 -1.0 2.0
   37    40    42    44   0.78400  1.0 3.0
   37    40    42    45   0.28850  1.0 1.0
   37    40    42    45   2.61350 -1.0 2.0
   37    40    42    45   0.78400  1.0 3.0
   37    40    70    62  -1.18350  1.0 1.0
   37    40    70    62   1.45950 -1.0 2.0
   37    40    70    71   1.00000 -1.0 2.0
   40    37    60    51  -1.18350  1.0 1.0
   40    37    60    51   1.45950 -1.0 2.0
   40    37    60    61   1.00000 -1.0 2.0
   40    42   -44    51   0.28850  1.0 1.0
   40    42   -44    51   2.61350 -1.0 2.0
   40    42   -44    51   0.78400  1.0 3.0
   40    42    44    53   0.50950  1.0 1.0
   40    42    44    53   0.56650 -1.0 2.0
   40    42    44    53   0.34050  1.0 3.0
   40    42    45    46   7.00000 -1.0 2.0
   40    42    45    55   7.00000 -1.0 2.0
   42    40    70    62  -1.18350  1.0 1.0
   42    40    70    62   1.45950 -1.0 2.0
   42    40    70    71   1.00000 -1.0 2.0
   42    44    51    52   7.00000 -1.0 2.0
   42    44    51    60   7.00000 -1.0 2.0
   42    44    53    54  -0.66100  1.0 1.0
   42    44    53    54   1.20850 -1.0 2.0
   42    44    53    54  -0.36000  1.0 3.0
   42    45    55    56   7.00000 -1.0 2.0
   42    45   -55    62   7.00000 -1.0 2.0
   44    42    45    46   7.00000 -1.0 2.0
   44    42    45    55   7.00000 -1.0 2.0
   44    51   -60    37  -1.18350  1.0 1.0
   44    51   -60    37   1.45950 -1.0 2.0
   44    51    60    61   1.00000 -1.0 2.0
   51    44    53    54  -0.66100  1.0 1.0
   51    44    53    54   1.20850 -1.0 2.0
   51    44    53    54  -0.36000  1.0 3.0
   52    51    60    37   0.93700 -1.0 2.0
   52    51    60    61   0.00000  1.0 1.0
   60    37   -40    42   7.00000 -1.0 2.0
   60    37    40    70   7.00000 -1.0 2.0
   53    44    51    52   7.00000 -1.0 2.0
   53    44    51    60   7.00000 -1.0 2.0
   45    42    44    51   0.28850  1.0 1.0
   45    42    44    51   2.61350 -1.0 2.0
   45    42    44    51   0.78400  1.0 3.0
   45    42    44    53   0.50950  1.0 1.0
   45    42    44    53   0.56650 -1.0 2.0
   45    42    44    53   0.34050  1.0 3.0
   45    55    62    63   7.00000 -1.0 2.0
   45    55    62    70   7.00000 -1.0 2.0
   46    45    55    56   7.00000 -1.0 2.0
   46    45    55    62   7.00000 -1.0 2.0
   55    62   -70    40  -1.18350  1.0 1.0
   55    62   -70    40   1.45950 -1.0 2.0
   55    62    70    71   1.00000 -1.0 2.0
   56    55    62    63   7.00000 -1.0 2.0
   56    55    62    70   7.00000 -1.0 2.0
   63    62    70    40   1.50000 -1.0 2.0
   63    62    70    71  -0.11900  1.0 1.0
   63    62    70    71   0.76850 -1.0 2.0
   63    62    70    71   0.14100  1.0 3.0
   70    40    42    44  -0.18600  1.0 3.0
   70    40   -42    45  -0.18600  1.0 3.0
   38    33    37    40  -0.51250  1.0 1.0
   38    33    37    40  -0.88800 -1.0 2.0
   38    33    37    40   0.08850  1.0 3.0
   38    33    37    60   0.09700  1.0 1.0
   38    33    37    60   0.15600 -1.0 2.0
   38    33    37    60  -0.50800  1.0 3.0
   38    33    58    49   0.11950  1.0 1.0
   38    33    58    49   0.20300 -1.0 2.0
   38    33    58    49  -0.70800  1.0 3.0
   38    33    58    59  -0.11250  1.0 3.0
   38    33    58    68  -0.09450  1.0 1.0
   38    33    58    68  -1.12950 -1.0 2.0
   38    33    58    68   0.54000  1.0 3.0
   38    41    43    47   3.62500 -1.0 2.0
   38    41   -43    49   3.62500 -1.0 2.0
   38    41    72    64   3.62500 -1.0 2.0
   38    41    72    73   3.62500 -1.0 2.0
   39    38    41    43   1.05000 -1.0 2.0
   39    38    41    72   1.05000 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    57   3.62500 -1.0 2.0
   41    43    49    50   1.05000 -1.0 2.0
   41    43    49    58   2.26350  1.0 1.0
   41    43    49    58   0.76750 -1.0 2.0
   41    43    49    58   0.22500  1.0 3.0
   41    72    73    74   0.84100 -1.0 2.0
   43    41    72    64   3.62500 -1.0 2.0
   43    41    72    73   3.62500 -1.0 2.0
   43    47   -57    64   3.62500 -1.0 2.0
   43    47    57    66   3.62500 -1.0 2.0
   43    49   -58    33   0.05850 -1.0 2.0
   43    49   -58    33   0.17250  1.0 3.0
   43    49    58    59   0.00000  1.0 1.0
   43    49    58    68   0.65300  1.0 1.0
   43    49    58    68  -0.03850 -1.0 2.0
   43    49    58    68   0.33900  1.0 3.0
   47    43    49    50   1.05000 -1.0 2.0
   47    43    49    58   2.26350  1.0 1.0
   47    43    49    58   0.76750 -1.0 2.0
   47    43    49    58   0.22500  1.0 3.0
   47    57    64    65   3.62500 -1.0 2.0
   47    57    64    72   3.62500 -1.0 2.0
   47    57    66    67   0.84100 -1.0 2.0
   48    47    57    64   3.62500 -1.0 2.0
   48    47    57    66   3.62500 -1.0 2.0
   57    64   -72    41   3.62500 -1.0 2.0
   57    64    72    73   3.62500 -1.0 2.0
   64    57    66    67   0.84100 -1.0 2.0
   64    72    73    74   0.84100 -1.0 2.0
   65    64    72    41   3.62500 -1.0 2.0
   65    64    72    73   3.62500 -1.0 2.0
   72    41   -43    47   3.62500 -1.0 2.0
   72    41    43    49   3.62500 -1.0 2.0
   66    57    64    65   3.62500 -1.0 2.0
   66    57    64    72   3.62500 -1.0 2.0
   49    43    47    48   3.62500 -1.0 2.0
   49    43    47    57   3.62500 -1.0 2.0
   49    58    68    69   0.91850  1.0 1.0
   49    58    68    69   0.57950  1.0 3.0
   50    49    58    33   0.30150 -1.0 2.0
   50    49    58    59   0.00000  1.0 1.0
   50    49    58    68   0.30150 -1.0 2.0
   58    33    37    40   0.09850  1.0 1.0
   58    33    37    40   0.15250 -1.0 2.0
   58    33    37    40  -0.50650  1.0 3.0
   58    33    37    60   0.09700  1.0 1.0
   58    33    37    60   0.15600 -1.0 2.0
   58    33    37    60  -0.50800  1.0 3.0
   58    33    38    39   0.30150 -1.0 2.0
   58    33   -38    41   0.05850 -1.0 2.0
   58    33   -38    41   0.17250  1.0 3.0
   59    58    68    69   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
   33    60    37    40   1.10000 -1.0 2.0
   42    70    40    37   1.10000 -1.0 2.0
   40    44    42    45   1.10000 -1.0 2.0
   42    53    44    51   1.10000 -1.0 2.0
   60    52    51    44   1.10000 -1.0 2.0
   37    51    60    61  10.50000 -1.0 2.0
   55    46    45    42   1.10000 -1.0 2.0
   45    56    55    62   1.10000 -1.0 2.0
   70    63    62    55   1.10000 -1.0 2.0
   40    62    70    71  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   43    72    41    38   4.00000 -1.0 2.0
   47    49    43    41   4.00000 -1.0 2.0
   57    48    47    43   1.10000 -1.0 2.0
   64    66    57    47   4.00000 -1.0 2.0
   72    65    64    57   1.10000 -1.0 2.0
   64    73    72    41   4.00000 -1.0 2.0
   43    58    49    50  10.50000 -1.0 2.0
END
