* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    138    218     408
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02051   102.68022   -41.45069
    3     1 S   H    _H1_     3     1.02073    72.95648    64.54021
    4     1 S   H    _H2_     4     1.02116    40.90900  -145.45657
    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     1.08491   110.56590    58.74922
   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     1.84553    97.43068  -178.16176
   34    33 S   HC   _H5_    37     1.09474   105.45039   -34.62970
   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   _C11    38     1.50198   105.43395    80.00944
   39    38 S   HC   _H14    39     1.08674   118.39881   -82.60644
   40    38 S   CM   _C12    40     1.34131   121.35829    97.98583
   41    40 S   CM   _C13    41     1.46382   122.02945     0.60166
   42    40 S   OH   _O35    71     1.38036   121.70219   179.22924
   43    42 S   HO   _H18    72     0.96166   109.69319     0.00000
   44    41 S   CM   _C14    42     1.35900   119.55737    19.41143
   45    41 S   CT   _C17    67     1.50747   116.00961  -164.08397
   46    45 S   HC   _H15    68     1.08484   109.14529    90.02677
   47    45 S   HC   _H16    69     1.08504   109.17321   -30.26298
   48    45 S   HC   _H17    70     1.08595   109.06833  -149.84981
   49    44 S   CT   _C15    43     1.52149   125.67982   166.92869
   50    49 S   HC   _H6_    44     1.09924   106.46140  -102.41180
   51    49 S   CT   _C6_    45     1.51173   112.13785   135.90901
   52    51 S   HC   _H4_    46     1.10210   109.09595   -55.05312
   53    51 S   CT   _C7_    47     1.51806   109.88615    64.18413
   54    53 S   HC   _H10    48     1.09569   110.18162   176.47719
   55    53 S   HC   _H11    49     1.09606   111.75625    57.50612
   56    51 S   CT   _C5_    58     1.52100   102.23252  -167.87159
   57    56 S   HC   _H3_    59     1.09535   109.61366   148.29554
   58    53 S   CT   _C8_    50     1.53262   107.94185   -63.76146
   59    58 S   HC   _H12    51     1.09632   109.32883   177.80902
   60    58 S   HC   _H13    52     1.09421   105.01888   -68.73479
   61    56 S   CO4  _C16    60     1.51350   100.23776    33.48807
   62    61 S   O    _O34    61     1.22168   125.61630   163.77892
   63    56 S   CT   _C4_    63     1.52023   116.32224   -85.74400
   64    63 S   HC   _H7_    64     1.09143   110.13093    54.32649
   65    63 S   HC   _H8_    65     1.09117   110.18920   -65.65211
   66    63 S   HC   _H9_    66     1.09066   110.12064   174.31228
   67    33 S   CT   _C9_    53     1.58051   116.63786  -155.11090
   68    49 S   OS   _O33    62     1.42595   118.26777    16.27333
   69    67 S   CT   _C18    54     1.55707   107.40618   160.33006
   70    69 S   HC   _H19    55     1.07907   108.31495   -60.29064
   71    69 S   HC   _H20    56     1.07865   108.31704   179.76761
   72    69 S   HC   _H21    57     1.07900   108.39759    59.74212
  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
  17   7   2   1   1  10   4  10  14   3   1  20   5   2   1   1
  15   7  17   9  12   6   5   9   7   7   3   2   6   2   4   2
   1   1   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    67    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    58    67    69  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    53    58    59    60    67    69    70    71    72    42  
   38    39    40    44    58    67    69  
   36    37  
   37  
    0  
   39    40    41    44    58    67    69    45    42    43  
   40    41    67    42  
   41    44    49    67    45    46    47    48    42    43  
   44    49    50    51    58    67    69    68    45    46    47    48    42    43  
   43    44    45  
    0  
   49    50    51    52    53    58    59    60    67    69    70    71    72    56    61    68    45    46    47    48  
   46    47    48    49    67  
   47    48  
   48  
    0  
   50    51    52    53    54    55    58    67    69    56    57    61    62    68    63  
   51    52    53    67    56    61    68  
   52    53    54    55    58    59    60    67    56    57    61    62    68    63    64    65    66  
   53    54    55    58    56    57    61    68    63  
   54    55    58    59    60    67    69    56    57    61    68    63  
   55    58    59    60    67    56  
   58    59    60    67    56  
   57    61    62    68    63    64    65    66    58  
   61    62    68    63    64    65    66  
   59    60    67    69    70    71    72  
   60    67    69  
   67    69  
   62    68    63    64    65    66  
   68    63  
   64    65    66    68  
   65    66  
   66  
    0  
   69    70    71    72    68  
    0  
   70    71    72  
   71    72  
   72  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    67   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    42   510.000  1.338
   41    44   549.000  1.340
   41    45   317.000  1.510
   44    49   317.000  1.510
   44    67   317.000  1.510
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    68   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   268.000  1.529
   67    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    57   340.000  1.090
   56    61   317.000  1.522
   56    63   268.000  1.529
   61    62   570.000  1.229
   61    68   214.000  1.327
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   42    43   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    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    67    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    67    44    70.00000  112.02700
   33    67    58    58.35000  112.70000
   33    67    69    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  123.01800
   38    40    42    80.00000  121.38400
   40    38    39    35.00000  120.00000
   40    41    44    70.00000  123.01800
   40    41    45    70.00000  124.00000
   40    42    43    70.00000  107.45700
   41    44    49    70.00000  124.00000
   41    44    67    70.00000  124.00000
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   44    49    50    35.00000  109.50000
   44    49    51    70.00000  112.02700
   44    49    68    85.00000  110.90400
   44    67    58    70.00000  112.02700
   44    67    69    70.00000  112.02700
   49    51    52    37.50000  110.70000
   49    51    53    58.35000  112.70000
   49    51    56    58.35000  112.70000
   49    68    61    83.00000  116.90000
   51    49    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    61    63.00000  111.10000
   51    56    63    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    67    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   67    33    34    37.50000  110.70000
   67    33    38    70.00000  112.02700
   67    44    49    65.00000  117.92700
   67    58    59    37.50000  110.70000
   67    58    60    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    61    62    80.00000  120.40000
   56    61    68    81.00000  111.40000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   61    56    57    35.00000  109.50000
   68    49    50    35.00000  109.50000
   68    49    51    50.00000  109.50000
   68    61    62    83.00000  123.40000
   63    56    57    37.50000  110.70000
   63    56    61    63.00000  111.10000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   45    41    44    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   42    40    41    80.00000  121.38400
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    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    67    44   0.56750  1.0 1.0
   29    33    67    44  -0.07550 -1.0 2.0
   29    33    67    44   0.20000  1.0 3.0
   29    33    67    58   0.44750  1.0 1.0
   29    33    67    58  -0.17800 -1.0 2.0
   29    33    67    58   0.20200  1.0 3.0
   29    33    67    69   0.44750  1.0 1.0
   29    33    67    69  -0.17800 -1.0 2.0
   29    33    67    69   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    67    69    70   0.15000  1.0 3.0
   33    67    69    71   0.15000  1.0 3.0
   33    67    69    72   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    67    44   0.15000  1.0 3.0
   34    33    67    58   0.15000  1.0 3.0
   34    33    67    69   0.15000  1.0 3.0
   38    33    67    44   0.31000  1.0 1.0
   38    33    67    44   0.14700 -1.0 2.0
   38    33    67    44   0.07550  1.0 3.0
   38    33    67    58   0.34400  1.0 1.0
   38    33    67    58   0.09450 -1.0 2.0
   38    33    67    58   0.11100  1.0 3.0
   38    33    67    69   0.34400  1.0 1.0
   38    33    67    69   0.09450 -1.0 2.0
   38    33    67    69   0.11100  1.0 3.0
   38    40   -41    44   0.28850  1.0 1.0
   38    40   -41    44   2.61350 -1.0 2.0
   38    40   -41    44   0.78400  1.0 3.0
   38    40    41    45  -0.18600  1.0 3.0
   38    40    42    43  -0.66100  1.0 1.0
   38    40    42    43   1.20850 -1.0 2.0
   38    40    42    43  -0.36000  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    41    44    49   7.00000 -1.0 2.0
   40    41    44    67   7.00000 -1.0 2.0
   40    41    45    46   0.00000  1.0 1.0
   40    41    45    47   0.00000  1.0 1.0
   40    41    45    48   0.00000  1.0 1.0
   41    40    42    43  -0.66100  1.0 1.0
   41    40    42    43   1.20850 -1.0 2.0
   41    40    42    43  -0.36000  1.0 3.0
   41    44    49    50   0.00000  1.0 1.0
   41    44    49    51   0.09850  1.0 1.0
   41    44    49    51   0.15250 -1.0 2.0
   41    44    49    51  -0.50650  1.0 3.0
   41    44    49    68   0.39000  1.0 1.0
   41    44    49    68  -0.05800 -1.0 2.0
   41    44    49    68  -0.55150  1.0 3.0
   41    44   -67    33   0.09850  1.0 1.0
   41    44   -67    33   0.15250 -1.0 2.0
   41    44   -67    33  -0.50650  1.0 3.0
   41    44    67    58   0.09850  1.0 1.0
   41    44    67    58   0.15250 -1.0 2.0
   41    44    67    58  -0.50650  1.0 3.0
   41    44    67    69   0.09850  1.0 1.0
   41    44    67    69   0.15250 -1.0 2.0
   41    44    67    69  -0.50650  1.0 3.0
   44    41    45    46   0.00000  1.0 1.0
   44    41    45    47   0.00000  1.0 1.0
   44    41    45    48   0.00000  1.0 1.0
   44    49    51    52   0.15000  1.0 3.0
   44    49    51    53   0.34400  1.0 1.0
   44    49    51    53   0.09450 -1.0 2.0
   44    49    51    53   0.11100  1.0 3.0
   44    49    51    56   0.34400  1.0 1.0
   44    49    51    56   0.09450 -1.0 2.0
   44    49    51    56   0.11100  1.0 3.0
   44    49    68    61  -0.82050  1.0 1.0
   44    49    68    61   0.00600 -1.0 2.0
   44    49    68    61   0.04400  1.0 3.0
   44    67    69    70   0.15000  1.0 3.0
   44    67    69    71   0.15000  1.0 3.0
   44    67    69    72   0.15000  1.0 3.0
   49    44    67    33   0.46850  1.0 1.0
   49    44    67    33   0.08550 -1.0 2.0
   49    44    67    33   0.09800  1.0 3.0
   49    44    67    58   0.46850  1.0 1.0
   49    44    67    58   0.08550 -1.0 2.0
   49    44    67    58   0.09800  1.0 3.0
   49    44    67    69   0.46850  1.0 1.0
   49    44    67    69   0.08550 -1.0 2.0
   49    44    67    69   0.09800  1.0 3.0
   49    51    53    54   0.15000  1.0 3.0
   49    51    53    55   0.15000  1.0 3.0
   49    51   -53    58   0.56750  1.0 1.0
   49    51   -53    58  -0.07550 -1.0 2.0
   49    51   -53    58   0.20000  1.0 3.0
   49    51    56    57   0.15000  1.0 3.0
   49    51   -56    61  -0.95700  1.0 1.0
   49    51   -56    61  -0.18200 -1.0 2.0
   49    51   -56    61   0.29450  1.0 3.0
   49    51    56    63   0.56750  1.0 1.0
   49    51    56    63  -0.07550 -1.0 2.0
   49    51    56    63   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    68    61   0.08050  1.0 3.0
   51    49   -68    61  -0.25900  1.0 1.0
   51    49   -68    61  -0.47000 -1.0 2.0
   51    49   -68    61   0.11750  1.0 3.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    60   0.15000  1.0 3.0
   51    53    58    67   0.56750  1.0 1.0
   51    53    58    67  -0.07550 -1.0 2.0
   51    53    58    67   0.20000  1.0 3.0
   51    56    61    62   0.30150 -1.0 2.0
   51    56   -61    68   0.36750  1.0 3.0
   51    56    63    64   0.15000  1.0 3.0
   51    56    63    65   0.15000  1.0 3.0
   51    56    63    66   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    61  -0.11250  1.0 3.0
   52    51    56    63   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    61  -0.95700  1.0 1.0
   53    51    56    61  -0.18200 -1.0 2.0
   53    51    56    61   0.29450  1.0 3.0
   53    51    56    63   0.56750  1.0 1.0
   53    51    56    63  -0.07550 -1.0 2.0
   53    51    56    63   0.20000  1.0 3.0
   53    58    67    33   0.56750  1.0 1.0
   53    58    67    33  -0.07550 -1.0 2.0
   53    58    67    33   0.20000  1.0 3.0
   53    58   -67    44   0.34400  1.0 1.0
   53    58   -67    44   0.09450 -1.0 2.0
   53    58   -67    44   0.11100  1.0 3.0
   53    58    67    69   0.56750  1.0 1.0
   53    58    67    69  -0.07550 -1.0 2.0
   53    58    67    69   0.20000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    67   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    67   0.15000  1.0 3.0
   58    67    69    70   0.15000  1.0 3.0
   58    67    69    71   0.15000  1.0 3.0
   58    67    69    72   0.15000  1.0 3.0
   59    58    67    33   0.15000  1.0 3.0
   59    58    67    44   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   60    58    67    33   0.15000  1.0 3.0
   60    58    67    44   0.15000  1.0 3.0
   60    58    67    69   0.15000  1.0 3.0
   67    33    38    39   0.00000  1.0 1.0
   67    33   -38    40   0.09850  1.0 1.0
   67    33   -38    40   0.15250 -1.0 2.0
   67    33   -38    40  -0.50650  1.0 3.0
   67    44    49    50   0.34800  1.0 3.0
   67    44   -49    51   0.46850  1.0 1.0
   67    44   -49    51   0.08550 -1.0 2.0
   67    44   -49    51   0.09800  1.0 3.0
   67    44    49    68   0.09700  1.0 1.0
   67    44    49    68   0.15600 -1.0 2.0
   67    44    49    68  -0.50800  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.56750  1.0 1.0
   56    51    53    58  -0.07550 -1.0 2.0
   56    51    53    58   0.20000  1.0 3.0
   56    61   -68    49   1.63150  1.0 1.0
   56    61   -68    49   2.92000 -1.0 2.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    68   0.00000  1.0 1.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   61    56    63    64  -0.11250  1.0 3.0
   61    56    63    65  -0.11250  1.0 3.0
   61    56    63    66  -0.11250  1.0 3.0
   62    61    68    49   3.00000 -1.0 2.0
   68    49    51    52   0.23400  1.0 3.0
   68    49    51    53   0.62750  1.0 1.0
   68    49    51    53  -0.30950 -1.0 2.0
   68    49    51    53   0.27300  1.0 3.0
   68    49   -51    56   0.62750  1.0 1.0
   68    49   -51    56  -0.30950 -1.0 2.0
   68    49   -51    56   0.27300  1.0 3.0
   63    56    61    62   0.30150 -1.0 2.0
   63    56    61    68   0.36750  1.0 3.0
   45    41    44    49   7.00000 -1.0 2.0
   45    41    44    67   7.00000 -1.0 2.0
   42    40    41    44   0.50950  1.0 1.0
   42    40    41    44   0.56650 -1.0 2.0
   42    40    41    44   0.34050  1.0 3.0
   42    40    41    45   1.08500 -1.0 2.0
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    39    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   40    45    41    44   1.10000 -1.0 2.0
   49    67    44    41   1.10000 -1.0 2.0
   56    68    61    62  10.50000 -1.0 2.0
END
