* LIGAND DATABASE FILE (OPLS2005)
*
001      71    74    135    213     391
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02130    45.37083  -134.63845
    3     1 S   H    _H1_     3     1.02066   104.85066   -32.88361
    4     1 S   H    _H2_     4     1.02085    67.45190    71.51049
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C5_    36     1.81692    98.30328   -78.14058
   34    33 S   HC   _H3_    37     1.09756   108.50585    41.97998
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C6_    38     1.48567   107.99323   159.97880
   39    33 S   CT   _C4_    68     1.52192   110.34121   -78.67245
   40    39 S   HC   _H8_    69     1.09572   111.72825   -60.23592
   41    39 S   HC   _H9_    70     1.09604   111.93336   177.90744
   42    39 S   HC   _H10    71     1.09635   110.14663    59.19482
   43    38 S   CM   _C7_    39     1.33742   130.46885    62.24637
   44    43 S   OS   _O33    40     1.39576   115.20837  -179.46113
   45    43 S   OH   _O38    66     1.37083   125.83630     0.43296
   46    45 S   HO   _H17    67     0.96666   110.50338   180.00000
   47    44 S   CT   _C8_    41     1.43285   104.35701    -6.34693
   48    47 S   CM   _C14    42     1.49115   111.17535   136.89858
   49    48 S   HC   _H12    43     1.08055   123.97095   -56.89425
   50    38 S   CT   _C9_    57     1.49083   121.11219  -115.85798
   51    50 S   HC   _H4_    58     1.09530   110.88696    63.89182
   52    48 S   CM   _C13    44     1.33345   111.99725   124.49871
   53    52 S   HC   _H11    45     1.08111   123.37595  -180.00000
   54    52 S   CT   _C12    46     1.49751   112.65901    -2.66058
   55    54 S   HC   _H7_    47     1.09824   107.86133  -114.60687
   56    54 S   CM   _C15    48     1.48883   114.61782   124.52721
   57    56 S   CM   _C16    49     1.33563   122.96061  -125.65612
   58    57 S   HC   _H13    50     1.08234   124.22447  -174.07993
   59    56 S   CO4  _C17    59     1.46591   120.15289    60.01062
   60    59 S   O    _O36    60     1.22026   123.62034  -155.34684
   61    57 S   OS   _O35    51     1.36309   125.91025     2.72189
   62    59 S   OS   _O37    61     1.35713   108.63157    24.67167
   63    61 S   CO   _C10    52     1.42417   116.35175    18.27692
   64    63 S   HC   _H5_    53     1.09677   105.81605  -154.14806
   65    62 S   CT   _C18    62     1.43135   115.29543  -179.96574
   66    65 S   HC   _H14    63     1.09346   109.47402  -180.00000
   67    65 S   HC   _H15    64     1.09232   109.60452    59.22816
   68    65 S   HC   _H16    65     1.09261   108.99607   -60.43999
   69    47 S   CT   _C11    54     1.53551   111.96441  -106.34625
   70    69 S   HC   _H6_    55     1.09762   112.55120    -4.43646
   71    63 S   OS   _O34    56     1.43785   111.47165    91.59623
  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   9   5   4   3
  13   7   2   1   1  15   5   2   1   1   9  13   3   1  15  12
   5   9   3   9   4  13   6  10   9   3   8   2   5   4   4   3
   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    50    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    47    71    50    51    45    39    40    41    42  
   38    43    50    39    40    41    42  
   36    37  
   37  
    0  
   43    44    47    48    63    69    71    50    51    45    46    39    40    41    42  
   40    41    42    43    50  
   41    42  
   42  
    0  
   44    47    48    69    71    50    51    45    46  
   47    48    49    52    54    63    69    70    71    50    51    45    46  
   46    47    50  
    0  
   48    49    52    53    54    55    56    61    63    64    69    70    71    50    51  
   49    52    53    54    55    56    63    69    70    71    50    51  
   52    53    54    69    50  
   51    52    54    61    63    64    69    70    71  
   63    69    71  
   53    54    55    56    57    63    69    70    59  
   54    55    56    69  
   55    56    57    58    61    63    64    69    70    71    59    60    62  
   56    57    63    69    70    59  
   57    58    61    63    69    70    59    60    62    65  
   58    61    63    64    69    71    59    60    62  
   61    63    59  
   60    62    65    66    67    68    61    69  
   62    65  
   63    64    69    70    71  
   65    66    67    68  
   64    69    70    71  
   69    70    71  
   66    67    68  
   67    68  
   68  
    0  
   70    71  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   44   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   549.000  1.340
   38    50   317.000  1.510
   43    44   440.000  1.360
   43    45   510.000  1.338
   44    47   320.000  1.410
   47    48   317.000  1.510
   47    69   268.000  1.529
   47    50   268.000  1.529
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    53   340.000  1.080
   52    54   317.000  1.510
   54    55   340.000  1.090
   54    56   317.000  1.510
   54    69   268.000  1.529
   56    57   549.000  1.340
   56    59   320.000  1.462
   57    58   340.000  1.080
   57    61   440.000  1.360
   61    63   320.000  1.380
   63    64   340.000  1.090
   63    69   250.000  1.527
   63    71   320.000  1.380
   69    70   340.000  1.090
   71    50   320.000  1.410
   50    51   340.000  1.090
   59    60   570.000  1.229
   59    62   214.000  1.327
   62    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   45    46   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    50    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    80.00000  120.01400
   38    43    45    80.00000  121.38400
   38    50    47    70.00000  112.02700
   38    50    71    85.00000  110.90400
   38    50    51    35.00000  109.50000
   43    44    47    90.00000  111.18400
   43    45    46    70.00000  107.45700
   44    47    48    85.00000  110.90400
   44    47    69    50.00000  109.50000
   44    47    50    50.00000  109.50000
   47    48    49    35.00000  117.00000
   47    48    52    70.00000  124.00000
   47    69    54    58.35000  112.70000
   47    69    63    75.00000  109.43000
   47    69    70    37.50000  110.70000
   47    50    71    50.00000  109.50000
   47    50    51    37.50000  110.70000
   48    52    53    35.00000  120.00000
   48    52    54    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    54    55    35.00000  109.50000
   52    54    56    70.00000  110.12100
   52    54    69    70.00000  112.02700
   54    52    53    35.00000  117.00000
   54    56    57    70.00000  124.00000
   54    56    59    65.00000  116.34900
   54    69    63    75.00000  109.43000
   54    69    70    37.50000  110.70000
   56    54    55    35.00000  109.50000
   56    57    58    35.00000  120.00000
   56    57    61    80.00000  120.01400
   56    59    60    80.00000  123.72100
   56    59    62    90.00000  111.29400
   57    61    63    85.00000  113.97000
   61    57    58    55.00000  109.52600
   61    63    64    35.00000  109.50000
   61    63    69    90.00000  108.56700
   61    63    71    92.60000  111.55000
   63    69    70    45.00000  108.72000
   63    71    50    60.00000  109.50000
   69    47    48    70.00000  112.02700
   69    54    55    37.50000  110.70000
   69    54    56    70.00000  112.02700
   69    63    64    45.00000  112.01100
   71    63    64    35.00000  109.50000
   71    63    69    90.00000  108.56700
   71    50    51    35.00000  109.50000
   50    38    43    70.00000  124.00000
   50    47    48    70.00000  112.02700
   50    47    69    58.35000  112.70000
   59    56    57    65.00000  118.96000
   59    62    65    83.00000  116.90000
   62    59    60    83.00000  123.40000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   45    43    44   115.00000  116.36000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    50   0.30250  1.0 1.0
   29    33    38    50  -0.14950 -1.0 2.0
   29    33    38    50   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   33    38    50    47   0.46850  1.0 1.0
   33    38    50    47   0.08550 -1.0 2.0
   33    38    50    47   0.09800  1.0 3.0
   33    38    50    71   0.09700  1.0 1.0
   33    38    50    71   0.15600 -1.0 2.0
   33    38    50    71  -0.50800  1.0 3.0
   33    38    50    51   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    50   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43   -44    47  -2.26850  1.0 1.0
   38    43   -44    47   3.39050 -1.0 2.0
   38    43    45    46  -0.66100  1.0 1.0
   38    43    45    46   1.20850 -1.0 2.0
   38    43    45    46  -0.36000  1.0 3.0
   43    38   -50    47   0.09850  1.0 1.0
   43    38   -50    47   0.15250 -1.0 2.0
   43    38   -50    47  -0.50650  1.0 3.0
   43    38    50    71   0.39000  1.0 1.0
   43    38    50    71  -0.05800 -1.0 2.0
   43    38    50    71  -0.55150  1.0 3.0
   43    38    50    51   0.00000  1.0 1.0
   43    44    47    48  -0.48150  1.0 1.0
   43    44    47    48   0.09250 -1.0 2.0
   43    44    47    48  -0.12850  1.0 3.0
   43    44    47    69  -0.46850  1.0 1.0
   43    44    47    69   0.09300 -1.0 2.0
   43    44    47    69  -0.12850  1.0 3.0
   43    44   -47    50  -0.46850  1.0 1.0
   43    44   -47    50   0.09300 -1.0 2.0
   43    44   -47    50  -0.12850  1.0 3.0
   44    43    45    46   2.00000 -1.0 2.0
   44    47    48    49   0.00000  1.0 1.0
   44    47    48    52   0.39000  1.0 1.0
   44    47    48    52  -0.05800 -1.0 2.0
   44    47    48    52  -0.55150  1.0 3.0
   44    47    69    54   0.62750  1.0 1.0
   44    47    69    54  -0.30950 -1.0 2.0
   44    47    69    54   0.27300  1.0 3.0
   44    47    69    63   0.62750  1.0 1.0
   44    47    69    63  -0.30950 -1.0 2.0
   44    47    69    63   0.27300  1.0 3.0
   44    47    69    70   0.23400  1.0 3.0
   44    47   -50    38   0.61850  1.0 1.0
   44    47   -50    38  -0.22750 -1.0 2.0
   44    47   -50    38   0.15300  1.0 3.0
   44    47    50    71   1.11900  1.0 1.0
   44    47    50    71  -1.16350 -1.0 2.0
   44    47    50    71  -0.34150  1.0 3.0
   44    47    50    51   0.23400  1.0 3.0
   47    48    52    53   7.00000 -1.0 2.0
   47    48   -52    54   7.00000 -1.0 2.0
   48    47   -69    54   0.34400  1.0 1.0
   48    47   -69    54   0.09450 -1.0 2.0
   48    47   -69    54   0.11100  1.0 3.0
   48    47    69    63   0.34400  1.0 1.0
   48    47    69    63   0.09450 -1.0 2.0
   48    47    69    63   0.11100  1.0 3.0
   48    47    69    70   0.15000  1.0 3.0
   48    47    50    38   0.31000  1.0 1.0
   48    47    50    38   0.14700 -1.0 2.0
   48    47    50    38   0.07550  1.0 3.0
   48    47    50    71   0.61850  1.0 1.0
   48    47    50    71  -0.22750 -1.0 2.0
   48    47    50    71   0.15300  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    52    54    55   0.00000  1.0 1.0
   48    52    54    56  -0.28300  1.0 1.0
   48    52    54    56   0.26700 -1.0 2.0
   48    52    54    56  -0.63300  1.0 3.0
   48    52   -54    69   0.09850  1.0 1.0
   48    52   -54    69   0.15250 -1.0 2.0
   48    52   -54    69  -0.50650  1.0 3.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    54   7.00000 -1.0 2.0
   52    54    56    57  -0.28300  1.0 1.0
   52    54    56    57   0.26700 -1.0 2.0
   52    54    56    57  -0.63300  1.0 3.0
   52    54    56    59   0.09700  1.0 1.0
   52    54    56    59   0.15600 -1.0 2.0
   52    54    56    59  -0.50800  1.0 3.0
   52    54   -69    47   0.34400  1.0 1.0
   52    54   -69    47   0.09450 -1.0 2.0
   52    54   -69    47   0.11100  1.0 3.0
   52    54    69    63   0.34400  1.0 1.0
   52    54    69    63   0.09450 -1.0 2.0
   52    54    69    63   0.11100  1.0 3.0
   52    54    69    70   0.15000  1.0 3.0
   53    52    54    55   0.33100  1.0 3.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    69   0.00000  1.0 1.0
   54    56    57    58   7.00000 -1.0 2.0
   54    56    57    61   7.00000 -1.0 2.0
   54    56    59    60  -0.64400  1.0 1.0
   54    56    59    60   0.26850 -1.0 2.0
   54    56    59    62  -0.15000  1.0 1.0
   54    56    59    62   0.89550 -1.0 2.0
   54    56    59    62  -0.06900  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    59   0.15000  1.0 3.0
   55    54    69    47   0.15000  1.0 3.0
   55    54    69    63   0.15000  1.0 3.0
   55    54    69    70   0.15000  1.0 3.0
   56    54    69    47   0.34400  1.0 1.0
   56    54    69    47   0.09450 -1.0 2.0
   56    54    69    47   0.11100  1.0 3.0
   56    54    69    63   0.34400  1.0 1.0
   56    54    69    63   0.09450 -1.0 2.0
   56    54    69    63   0.11100  1.0 3.0
   56    54    69    70   0.15000  1.0 3.0
   56    57   -61    63  -2.26850  1.0 1.0
   56    57   -61    63   3.39050 -1.0 2.0
   56    59    62    65   2.00000 -1.0 2.0
   57    56    59    60   1.00000 -1.0 2.0
   57    56    59    62  -0.56150  1.0 1.0
   57    56    59    62   2.19150 -1.0 2.0
   57    61    63    64   0.08050  1.0 3.0
   57    61    63    69  -0.46850  1.0 1.0
   57    61    63    69   0.09300 -1.0 2.0
   57    61    63    69  -0.12850  1.0 3.0
   57    61    63    71  -0.48150  1.0 1.0
   57    61    63    71   0.09250 -1.0 2.0
   57    61    63    71  -0.12850  1.0 3.0
   58    57    61    63   0.50000 -1.0 2.0
   61    63    69    47   0.62750  1.0 1.0
   61    63    69    47  -0.30950 -1.0 2.0
   61    63    69    47   0.27300  1.0 3.0
   61    63   -69    54   0.62750  1.0 1.0
   61    63   -69    54  -0.30950 -1.0 2.0
   61    63   -69    54   0.27300  1.0 3.0
   61    63    69    70   0.23400  1.0 3.0
   61    63    71    50  -0.53350  1.0 1.0
   61    63    71    50  -0.78350 -1.0 2.0
   61    63    71    50   0.33750  1.0 3.0
   63    71    50    38  -0.77900  1.0 1.0
   63    71    50    38  -0.36900 -1.0 2.0
   63    71    50    38   0.40400  1.0 3.0
   63    71   -50    47   0.06250  1.0 1.0
   63    71   -50    47  -0.01100 -1.0 2.0
   63    71   -50    47   0.28050  1.0 3.0
   63    71    50    51   0.37050  1.0 3.0
   64    63    69    47   0.15000  1.0 3.0
   64    63    69    54   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    71    50   0.37050  1.0 3.0
   69    47    48    49   0.00000  1.0 1.0
   69    47   -48    52   0.09850  1.0 1.0
   69    47   -48    52   0.15250 -1.0 2.0
   69    47   -48    52  -0.50650  1.0 3.0
   69    47    50    38   0.34400  1.0 1.0
   69    47    50    38   0.09450 -1.0 2.0
   69    47    50    38   0.11100  1.0 3.0
   69    47   -50    71   0.62750  1.0 1.0
   69    47   -50    71  -0.30950 -1.0 2.0
   69    47   -50    71   0.27300  1.0 3.0
   69    47    50    51   0.15000  1.0 3.0
   69    54   -56    57   0.09850  1.0 1.0
   69    54   -56    57   0.15250 -1.0 2.0
   69    54   -56    57  -0.50650  1.0 3.0
   69    54    56    59   0.09700  1.0 1.0
   69    54    56    59   0.15600 -1.0 2.0
   69    54    56    59  -0.50800  1.0 3.0
   69    63   -71    50   0.06250  1.0 1.0
   69    63   -71    50  -0.01100 -1.0 2.0
   69    63   -71    50   0.28050  1.0 3.0
   71    63   -69    47   0.62750  1.0 1.0
   71    63   -69    47  -0.30950 -1.0 2.0
   71    63   -69    47   0.27300  1.0 3.0
   71    63    69    54   0.62750  1.0 1.0
   71    63    69    54  -0.30950 -1.0 2.0
   71    63    69    54   0.27300  1.0 3.0
   71    63    69    70   0.23400  1.0 3.0
   50    38   -43    44   7.00000 -1.0 2.0
   50    38    43    45   7.00000 -1.0 2.0
   50    47    48    49   0.00000  1.0 1.0
   50    47    48    52   0.09850  1.0 1.0
   50    47    48    52   0.15250 -1.0 2.0
   50    47    48    52  -0.50650  1.0 3.0
   50    47    69    54   0.56750  1.0 1.0
   50    47    69    54  -0.07550 -1.0 2.0
   50    47    69    54   0.20000  1.0 3.0
   50    47   -69    63   3.97050  1.0 1.0
   50    47    69    70   0.15000  1.0 3.0
   59    56    57    58   7.00000 -1.0 2.0
   59    56    57    61   7.00000 -1.0 2.0
   59    62    65    66   0.08050  1.0 3.0
   59    62    65    67   0.08050  1.0 3.0
   59    62    65    68   0.08050  1.0 3.0
   60    59    62    65   3.00000 -1.0 2.0
   45    43    44    47   2.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    50   0.46850  1.0 1.0
   39    33    38    50   0.08550 -1.0 2.0
   39    33    38    50   0.09800  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
   36    30    35    37  10.50000 -1.0 2.0
   33    50    38    43   1.10000 -1.0 2.0
   44    45    43    38   1.10000 -1.0 2.0
   47    49    48    52   1.10000 -1.0 2.0
   54    53    52    48   1.10000 -1.0 2.0
   54    59    56    57   1.10000 -1.0 2.0
   61    58    57    56   1.10000 -1.0 2.0
   56    62    59    60  10.50000 -1.0 2.0
END
