* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    143    231     430
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02051   103.48084     9.89122
    3     1 S   H    _H1_     3     1.02101    42.36884   113.03219
    4     1 S   H    _H2_     4     1.02132    71.09622   -95.56927
    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   _C18    36     1.80859    98.54729   -78.14415
   34    33 S   HC   _H22    37     1.09424   109.14007   -59.14071
   35    33 S   HC   _H23    38     1.09427   109.29054    58.81367
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C16    39     1.48612   110.13605   180.00000
   40    39 S   CM   _C17    40     1.33922   130.50753   -89.63183
   41    40 S   OS   _O35    41     1.39963   114.44858  -179.58222
   42    40 S   OH   _O36    74     1.36986   126.22466    -1.03287
   43    42 S   HO   _H21    75     0.96669   110.57261   179.97202
   44    41 S   CT   _C7_    42     1.44241   102.07017   -18.17882
   45    44 S   HC   _H3_    43     1.10143   105.61518   -86.44034
   46    44 S   CT   _C6_    44     1.52763   111.96930   157.46989
   47    46 S   HC   _H11    45     1.09675   108.82908    42.38214
   48    46 S   HC   _H12    46     1.09924   106.97832   157.28401
   49    46 S   CT   _C5_    47     1.55400   116.02529   -82.14430
   50    49 S   CT   _C10    48     1.56435   108.81746   -49.67082
   51    50 S   HC   _H5_    49     1.10196   107.52473   -57.85559
   52    49 S   CT   _C4_    70     1.54940   109.02477    72.97368
   53    52 S   HC   _H8_    71     1.08105   108.67965  -179.97202
   54    52 S   HC   _H9_    72     1.08161   108.71729    59.97986
   55    52 S   HC   _H10    73     1.08206   108.66060   -60.02324
   56    50 S   CM   _C11    50     1.53203   110.70392  -172.57355
   57    50 S   CT   _C9_    65     1.53854   111.54396    57.39074
   58    57 S   HC   _H13    66     1.09893   109.61317  -177.07457
   59    57 S   HC   _H14    67     1.09804   110.18355    67.25306
   60    56 S   CT   _C13    51     1.51822   112.58809    58.65052
   61    60 S   HC   _H6_    52     1.09752   108.78564    63.18627
   62    56 S   CM   _C12    62     1.34380   124.47847  -121.14868
   63    62 S   HC   _H15    63     1.07960   120.26567   179.75451
   64    62 S   HC   _H16    64     1.07816   120.35122    -0.15066
   65    39 S   CT   _C8_    68     1.49745   121.47206    92.39330
   66    65 S   HC   _H4_    69     1.09616   112.27929   -47.28121
   67    60 S   CT   _C14    53     1.52732   110.29209   -57.13629
   68    67 S   HC   _H17    54     1.09854   109.66218   175.90648
   69    67 S   HC   _H18    55     1.09788   110.60477   -70.32213
   70    60 S   OH   _O34    60     1.42448   113.27476  -177.99270
   71    70 S   HO   _H20    61     0.97008   106.63782   179.91607
   72    49 S   CT   _C15    56     1.56613   108.43633  -167.66058
   73    72 S   HC   _H7_    57     1.09767   109.49097    51.40042
   74    72 S   OH   _O33    58     1.42620   111.82892   -66.89786
   75    74 S   HO   _H19    59     0.96927   106.52022   175.18545
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  13   7  17   6   5
  20  21   9   9   3   2   1  15   7   3   2  12   7   4   1   1
   1   1   8   5   4   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    65  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    57    65    66    42  
   35    39    40    65  
   39    40    65  
   37    38  
   38  
    0  
   40    41    44    45    46    50    57    58    59    65    66    42    43  
   41    44    45    46    57    65    66    42    43  
   44    45    46    47    48    49    57    65    66    42    43  
   43    44    65  
    0  
   45    46    47    48    49    50    72    57    58    59    65    66    52  
   46    47    48    49    57    65    66  
   47    48    49    50    51    56    67    72    73    74    57    65    66    52    53    54    55  
   48    49    50    72    65    52  
   49    50    72    65    52  
   50    51    56    60    67    68    69    72    73    74    75    62    57    58    59    65    52    53    54    55  
   51    56    60    61    67    72    73    74    70    62    63    64    57    58    59    65    66    52    53    54    55  
   56    60    72    62    57    58    59    65    52  
   53    54    55    56    57    67    72    73    74  
   54    55    72  
   55    72  
   72  
   60    61    67    68    69    72    70    71    62    63    64    57    58    59    65  
   58    59    65    66    60    62    72  
   59    65    66  
   65    66  
   61    67    68    69    72    73    74    70    71    62    63    64  
   67    68    69    72    70    71    62  
   63    64    67    70  
   64  
    0  
   66  
    0  
   68    69    72    73    74    75    70    71  
   69    72    73    74    70  
   72    73    74    70  
   71    72  
    0  
   73    74    75  
   74    75  
   75  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    65   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    65   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   268.000  1.529
   49    72   268.000  1.529
   49    52   268.000  1.529
   50    51   340.000  1.090
   50    56   317.000  1.510
   50    57   268.000  1.529
   56    60   317.000  1.510
   56    62   549.000  1.340
   60    61   340.000  1.090
   60    67   268.000  1.529
   60    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   320.000  1.410
   74    75   553.000  0.945
   70    71   553.000  0.945
   62    63   340.000  1.080
   62    64   340.000  1.080
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    65    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    65    44    70.00000  112.02700
   39    65    57    70.00000  112.02700
   39    65    66    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    65    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    65    57    58.35000  112.70000
   44    65    66    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    49    50    58.35000  112.70000
   46    49    72    58.35000  112.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    50    51    37.50000  110.70000
   49    50    56    70.00000  112.02700
   49    50    57    58.35000  112.70000
   49    72    67    58.35000  112.70000
   49    72    73    37.50000  110.70000
   49    72    74    50.00000  109.50000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    60    65.00000  117.92700
   50    56    62    70.00000  124.00000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    65    58.35000  112.70000
   56    50    51    35.00000  109.50000
   56    60    61    35.00000  109.50000
   56    60    67    70.00000  112.02700
   56    60    70    90.00000  110.39200
   56    62    63    35.00000  120.00000
   56    62    64    35.00000  120.00000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    72    58.35000  112.70000
   60    70    71    55.00000  108.50000
   67    60    61    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    50.00000  109.50000
   69    67    68    33.00000  107.80000
   72    49    50    58.35000  112.70000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    74    75    55.00000  108.50000
   74    72    73    35.00000  109.50000
   70    60    61    35.00000  109.50000
   70    60    67    50.00000  109.50000
   62    56    60    70.00000  124.00000
   64    62    63    35.00000  117.00000
   57    50    51    37.50000  110.70000
   57    50    56    70.00000  112.02700
   57    65    66    37.50000  110.70000
   59    57    58    33.00000  107.80000
   65    39    40    70.00000  124.00000
   65    44    45    37.50000  110.70000
   65    44    46    58.35000  112.70000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   52    49    50    58.35000  112.70000
   52    49    72    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   42    40    41   115.00000  116.36000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    65   0.30250  1.0 1.0
   29    33    39    65  -0.14950 -1.0 2.0
   29    33    39    65   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    65    44   0.46850  1.0 1.0
   33    39    65    44   0.08550 -1.0 2.0
   33    39    65    44   0.09800  1.0 3.0
   33    39    65    57   0.46850  1.0 1.0
   33    39    65    57   0.08550 -1.0 2.0
   33    39    65    57   0.09800  1.0 3.0
   33    39    65    66   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    65   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    65   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -65    44   0.09850  1.0 1.0
   40    39   -65    44   0.15250 -1.0 2.0
   40    39   -65    44  -0.50650  1.0 3.0
   40    39    65    57   0.09850  1.0 1.0
   40    39    65    57   0.15250 -1.0 2.0
   40    39    65    57  -0.50650  1.0 3.0
   40    39    65    66   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.46850  1.0 1.0
   40    41    44    46   0.09300 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    65  -0.46850  1.0 1.0
   40    41   -44    65   0.09300 -1.0 2.0
   40    41   -44    65  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.23400  1.0 3.0
   41    44    46    49   0.62750  1.0 1.0
   41    44    46    49  -0.30950 -1.0 2.0
   41    44    46    49   0.27300  1.0 3.0
   41    44   -65    39   0.61850  1.0 1.0
   41    44   -65    39  -0.22750 -1.0 2.0
   41    44   -65    39   0.15300  1.0 3.0
   41    44    65    57   0.62750  1.0 1.0
   41    44    65    57  -0.30950 -1.0 2.0
   41    44    65    57   0.27300  1.0 3.0
   41    44    65    66   0.23400  1.0 3.0
   44    46    49    50   0.56750  1.0 1.0
   44    46    49    50  -0.07550 -1.0 2.0
   44    46    49    50   0.20000  1.0 3.0
   44    46    49    72   0.56750  1.0 1.0
   44    46    49    72  -0.07550 -1.0 2.0
   44    46    49    72   0.20000  1.0 3.0
   44    46    49    52   0.56750  1.0 1.0
   44    46    49    52  -0.07550 -1.0 2.0
   44    46    49    52   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    65    39   0.15000  1.0 3.0
   45    44    65    57   0.15000  1.0 3.0
   45    44    65    66   0.15000  1.0 3.0
   46    44    65    39   0.34400  1.0 1.0
   46    44    65    39   0.09450 -1.0 2.0
   46    44    65    39   0.11100  1.0 3.0
   46    44    65    57   0.56750  1.0 1.0
   46    44    65    57  -0.07550 -1.0 2.0
   46    44    65    57   0.20000  1.0 3.0
   46    44    65    66   0.15000  1.0 3.0
   46    49    50    51   0.15000  1.0 3.0
   46    49    50    56   0.34400  1.0 1.0
   46    49    50    56   0.09450 -1.0 2.0
   46    49    50    56   0.11100  1.0 3.0
   46    49   -50    57   0.56750  1.0 1.0
   46    49   -50    57  -0.07550 -1.0 2.0
   46    49   -50    57   0.20000  1.0 3.0
   46    49    72    67   0.56750  1.0 1.0
   46    49    72    67  -0.07550 -1.0 2.0
   46    49    72    67   0.20000  1.0 3.0
   46    49    72    73   0.15000  1.0 3.0
   46    49    72    74   0.86500  1.0 1.0
   46    49    72    74  -0.17500 -1.0 2.0
   46    49    72    74   0.20800  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49    52    55   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    72   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    72   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    50    56    60   0.46850  1.0 1.0
   49    50    56    60   0.08550 -1.0 2.0
   49    50    56    60   0.09800  1.0 3.0
   49    50    56    62   0.09850  1.0 1.0
   49    50    56    62   0.15250 -1.0 2.0
   49    50    56    62  -0.50650  1.0 3.0
   49    50    57    58   0.15000  1.0 3.0
   49    50    57    59   0.15000  1.0 3.0
   49    50    57    65   0.56750  1.0 1.0
   49    50    57    65  -0.07550 -1.0 2.0
   49    50    57    65   0.20000  1.0 3.0
   49    72    74    75  -0.11600  1.0 1.0
   49    72    74    75  -0.09450 -1.0 2.0
   49    72    74    75   0.21250  1.0 3.0
   50    49    72    67   0.56750  1.0 1.0
   50    49    72    67  -0.07550 -1.0 2.0
   50    49    72    67   0.20000  1.0 3.0
   50    49    72    73   0.15000  1.0 3.0
   50    49    72    74   0.86500  1.0 1.0
   50    49    72    74  -0.17500 -1.0 2.0
   50    49    72    74   0.20800  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    56    60    61   0.34800  1.0 3.0
   50    56   -60    67   0.46850  1.0 1.0
   50    56   -60    67   0.08550 -1.0 2.0
   50    56   -60    67   0.09800  1.0 3.0
   50    56    60    70   0.18000  1.0 1.0
   50    56    60    70   0.16450 -1.0 2.0
   50    56    60    70   0.04450  1.0 3.0
   50    56    62    63   7.00000 -1.0 2.0
   50    56    62    64   7.00000 -1.0 2.0
   50    57    65    39   0.34400  1.0 1.0
   50    57    65    39   0.09450 -1.0 2.0
   50    57    65    39   0.11100  1.0 3.0
   50    57   -65    44   0.56750  1.0 1.0
   50    57   -65    44  -0.07550 -1.0 2.0
   50    57   -65    44   0.20000  1.0 3.0
   50    57    65    66   0.15000  1.0 3.0
   51    50    56    60   0.34800  1.0 3.0
   51    50    56    62   0.00000  1.0 1.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    65   0.15000  1.0 3.0
   56    50    57    58   0.15000  1.0 3.0
   56    50    57    59   0.15000  1.0 3.0
   56    50    57    65   0.34400  1.0 1.0
   56    50    57    65   0.09450 -1.0 2.0
   56    50    57    65   0.11100  1.0 3.0
   56    60    67    68   0.15000  1.0 3.0
   56    60    67    69   0.15000  1.0 3.0
   56    60    67    72   0.34400  1.0 1.0
   56    60    67    72   0.09450 -1.0 2.0
   56    60    67    72   0.11100  1.0 3.0
   56    60    70    71  -0.07800  1.0 1.0
   56    60    70    71  -0.21500 -1.0 2.0
   56    60    70    71  -0.03150  1.0 3.0
   60    56    62    63   7.00000 -1.0 2.0
   60    56    62    64   7.00000 -1.0 2.0
   60    67   -72    49   0.56750  1.0 1.0
   60    67   -72    49  -0.07550 -1.0 2.0
   60    67   -72    49   0.20000  1.0 3.0
   60    67    72    73   0.15000  1.0 3.0
   60    67    72    74   0.86500  1.0 1.0
   60    67    72    74  -0.17500 -1.0 2.0
   60    67    72    74   0.20800  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    72   0.15000  1.0 3.0
   61    60    70    71   0.19450  1.0 3.0
   67    60    70    71  -0.11600  1.0 1.0
   67    60    70    71  -0.09450 -1.0 2.0
   67    60    70    71   0.21250  1.0 3.0
   67    72    74    75  -0.11600  1.0 1.0
   67    72    74    75  -0.09450 -1.0 2.0
   67    72    74    75   0.21250  1.0 3.0
   68    67    72    49   0.15000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.23400  1.0 3.0
   69    67    72    49   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.23400  1.0 3.0
   72    49    50    51   0.15000  1.0 3.0
   72    49   -50    56   0.34400  1.0 1.0
   72    49   -50    56   0.09450 -1.0 2.0
   72    49   -50    56   0.11100  1.0 3.0
   72    49    50    57   0.56750  1.0 1.0
   72    49    50    57  -0.07550 -1.0 2.0
   72    49    50    57   0.20000  1.0 3.0
   72    49    52    53   0.15000  1.0 3.0
   72    49    52    54   0.15000  1.0 3.0
   72    49    52    55   0.15000  1.0 3.0
   73    72    74    75   0.19450  1.0 3.0
   70    60    67    68   0.23400  1.0 3.0
   70    60    67    69   0.23400  1.0 3.0
   70    60    67    72   0.86500  1.0 1.0
   70    60    67    72  -0.17500 -1.0 2.0
   70    60    67    72   0.20800  1.0 3.0
   62    56    60    61   0.00000  1.0 1.0
   62    56    60    67   0.09850  1.0 1.0
   62    56    60    67   0.15250 -1.0 2.0
   62    56    60    67  -0.50650  1.0 3.0
   62    56    60    70   0.67800  1.0 1.0
   62    56    60    70   0.47050 -1.0 2.0
   62    56    60    70  -0.62500  1.0 3.0
   57    50    56    60   0.46850  1.0 1.0
   57    50    56    60   0.08550 -1.0 2.0
   57    50    56    60   0.09800  1.0 3.0
   57    50    56    62   0.09850  1.0 1.0
   57    50    56    62   0.15250 -1.0 2.0
   57    50    56    62  -0.50650  1.0 3.0
   58    57    65    39   0.15000  1.0 3.0
   58    57    65    44   0.15000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   59    57    65    39   0.15000  1.0 3.0
   59    57    65    44   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   65    39   -40    41   7.00000 -1.0 2.0
   65    39    40    42   7.00000 -1.0 2.0
   65    44    46    47   0.15000  1.0 3.0
   65    44    46    48   0.15000  1.0 3.0
   65    44   -46    49   0.56750  1.0 1.0
   65    44   -46    49  -0.07550 -1.0 2.0
   65    44   -46    49   0.20000  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    56   0.34400  1.0 1.0
   52    49    50    56   0.09450 -1.0 2.0
   52    49    50    56   0.11100  1.0 3.0
   52    49    50    57   0.56750  1.0 1.0
   52    49    50    57  -0.07550 -1.0 2.0
   52    49    50    57   0.20000  1.0 3.0
   52    49    72    67   0.56750  1.0 1.0
   52    49    72    67  -0.07550 -1.0 2.0
   52    49    72    67   0.20000  1.0 3.0
   52    49    72    73   0.15000  1.0 3.0
   52    49    72    74   0.86500  1.0 1.0
   52    49    72    74  -0.17500 -1.0 2.0
   52    49    72    74   0.20800  1.0 3.0
   42    40    41    44   2.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    65    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   50    60    56    62   1.10000 -1.0 2.0
   63    64    62    56   1.10000 -1.0 2.0
END
