* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    139    220     418
    1     0 S   NP   _N1_     1    28.41586    96.30687   -23.28063
    2     1 S   H    _HN1     2     1.02959    78.93635    -5.38059
    3     1 S   H    _H1_     3     1.02834    31.23762   148.56204
    4     1 S   H    _H2_     4     1.02778   105.03363  -111.59465
    5     1 S   CT   _CA1     5     1.50131   135.26843   102.47985
    6     5 S   HC   _HA1     6     1.09575   105.21489    82.66574
    7     5 S   CO3  _C1_     7     1.53775   112.39061   -37.52273
    8     7 S   O2Z  _O11     8     1.26362   114.99314   -43.47205
    9     7 S   O2Z  _O12     9     1.26236   114.92551   135.64264
   10     5 S   CT   _CB1    10     1.53086   107.41610  -159.43282
   11    10 S   HC   HB11    11     1.09829   109.29320   -50.69273
   12    10 S   HC   HB12    12     1.09817   110.42984    65.84163
   13    10 S   CT   _CG1    13     1.53023   112.70701  -171.78092
   14    13 S   HC   HG11    14     1.09592   110.50562   -64.92857
   15    13 S   HC   HG12    15     1.09656   109.92293    54.30139
   16    13 S   C    _CD1    16     1.51817   112.27203   174.63721
   17    16 S   O    _OE1    17     1.22750   123.29207     0.81445
   18    16 S   N    _N2_    18     1.38594   111.76980  -179.19789
   19    18 S   H    _HN2    19     1.01582   119.06267     3.56557
   20    18 S   CT1  _CA2    20     1.45861   122.73931   177.51462
   21    20 S   HC   _HA2    21     1.09649   109.96174    21.25783
   22    20 S   C    _C2_    22     1.52653   104.55654   -96.53249
   23    22 S   O    _O2_    23     1.23033   122.35382   -77.18832
   24    20 S   CT   _CB2    32     1.53270   111.95127   144.60410
   25    24 S   HC   HB21    33     1.09518   110.17560    51.15112
   26    24 S   HC   HB22    34     1.09420   109.27092   170.12203
   27    22 S   N    _N3_    24     1.38374   113.12758    98.71405
   28    27 S   H    _HN3    25     1.01682   120.33006     0.02798
   29    24 S   S    _SG2    35     1.82838   110.70630   -68.87279
   30    27 S   CT   _CA3    26     1.45349   122.39892  -178.13859
   31    30 S   HC   HA31    27     1.09571   107.72223   -56.82047
   32    30 S   HC   HA32    28     1.09570   107.65330    59.45313
   33    29 S   CT   _C12    36     1.90183   102.22428  -166.40858
   34    30 S   CO3  _C3_    29     1.52872   114.46045  -178.86082
   35    34 S   O2Z  _O31    30     1.26313   116.11396    -2.78509
   36    34 S   O2Z  _O32    31     1.26453   114.37960   177.27064
   37    33 S   CO4  _C11    37     1.54312   107.01869    64.44792
   38    37 S   O    _O33    38     1.23104   124.20024    25.67756
   39    33 S   CT   _C13    53     1.56131   111.26111   -50.65341
   40    39 S   HC   _H5_    54     1.09916   105.78054    58.42878
   41    33 S   CM   _C16    67     1.54954   103.97955  -178.56346
   42    37 S   CM   _C10    39     1.48456   117.80380  -159.81892
   43    42 S   HC   _H13    40     1.08561   115.70914  -162.86225
   44    39 S   OH   _O34    55     1.42202   111.55003   -54.61543
   45    44 S   HO   _H17    56     0.97120   108.52613   161.57455
   46    41 S   CM   _C17    68     1.34842   121.90533    76.71179
   47    46 S   HC   _H18    69     1.08478   122.19698  -178.93651
   48    46 S   HC   _H19    70     1.08266   122.43926    -0.29608
   49    41 S   CT   _C18    71     1.52143   117.78847  -100.43926
   50    49 S   HC   _H20    72     1.09388   110.20337   -64.80058
   51    49 S   HC   _H21    73     1.09449   109.98971    56.03525
   52    42 S   CM   _C9_    41     1.34201   122.36187    11.79007
   53    49 S   OH   _O35    74     1.42349   112.89967   175.64338
   54    53 S   HO   _H22    75     0.97225   107.01133  -178.87499
   55    52 S   CT   _C8_    42     1.50932   118.99392  -169.28568
   56    55 S   HC   _H11    43     1.09488   110.74310  -121.79858
   57    55 S   HC   _H12    44     1.09695   111.61360    -4.04651
   58    55 S   CT   _C7_    45     1.52167   108.85066   116.05795
   59    58 S   HC   _H9_    46     1.09710   109.80713   176.40446
   60    58 S   HC   _H10    47     1.09885   109.89896   -68.18475
   61    58 S   CT   _C6_    48     1.53011   112.62518    53.96133
   62    61 S   HC   _H4_    49     1.09591   109.61277    71.01096
   63    61 S   CT   _C5_    50     1.55973   113.10956   -52.07836
   64    63 S   HC   _H3_    51     1.09578   105.77286   -67.31864
   65    61 S   OH   _O36    65     1.42944   107.86263  -173.08281
   66    65 S   HO   _H23    66     0.97244   107.60382   -58.82789
   67    52 S   CT   _C14    52     1.53658   124.87852     6.02974
   68    63 S   CT   _C4_    61     1.53906   108.28337   179.25349
   69    68 S   HC   _H6_    62     1.09399   111.80622   -65.81088
   70    68 S   HC   _H7_    63     1.09002   112.46752   171.80166
   71    68 S   HC   _H8_    64     1.09564   110.94030    53.69333
   72    67 S   CT   _C15    57     1.55941   108.65968   123.89765
   73    72 S   HC   _H14    58     1.09425   111.97402  -174.15585
   74    72 S   HC   _H15    59     1.09349   113.16361    65.48788
   75    72 S   HC   _H16    60     1.09714   111.00189   -54.43353
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  20   2   1   1  12   5  18   7  11   9   3   5   1   6   2   1
   4   3   2  15   1   1  11   6   5  10   5   4  11   6  12   7
   3   1   8   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    67    39    40    44    41    46    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    52    63    67    39    40    44    45    72    41    46    47    48    49    50    51    53  
   35    36  
   36  
    0  
   38    42    43    52    55    67    39    40    44    41    46    49  
   42    43    52    39    41  
   40    44    45    72    73    74    75    68    41    46    49    42    52    55    61    63    64    67  
   44    45    72    41    52    63    67  
   46    47    48    49    50    51    53    54    42    44    67  
   43    52    55    56    57    58    63    67    72  
   52    55    67  
   45    72    52    63    67  
   67  
   47    48    49    50    51    53  
   48    49  
   49  
   50    51    53    54  
   51    53    54  
   53    54  
   55    56    57    58    59    60    61    63    64    67    72    73    74    75    68  
   54  
    0  
   56    57    58    59    60    61    62    63    67    72    65  
   57    58    59    60    61    67  
   58    59    60    61    67  
   59    60    61    62    63    64    67    68    65    66  
   60    61    62    63    65  
   61    62    63    65  
   62    63    64    67    72    68    69    70    71    65    66  
   63    64    67    68    65    66  
   64    67    72    73    74    75    68    69    70    71    65    66  
   67    72    68    69    70    71    65  
   66    67    68  
    0  
   72    73    74    75    68    69    70    71  
   69    70    71    72  
   70    71  
   71  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    41   317.000  1.510
   37    38   570.000  1.229
   37    42   320.000  1.462
   42    43   340.000  1.080
   42    52   549.000  1.340
   52    55   317.000  1.510
   52    67   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    68   268.000  1.529
   67    39   268.000  1.529
   67    72   268.000  1.529
   39    40   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   65    66   553.000  0.945
   41    46   549.000  1.340
   41    49   317.000  1.510
   46    47   340.000  1.080
   46    48   340.000  1.080
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   320.000  1.410
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  112.20000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  118.62400
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    44    50.00000  109.50000
   33    41    46    70.00000  124.00000
   33    41    49    65.00000  117.92700
   37    42    43    40.00000  117.72500
   37    42    52    65.00000  118.96000
   42    37    38    80.00000  123.72100
   42    52    55    70.00000  124.00000
   42    52    67    70.00000  124.00000
   52    42    43    35.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    70.00000  112.02700
   52    67    63    70.00000  112.02700
   52    67    39    70.00000  112.02700
   52    67    72    70.00000  112.02700
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    65    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    67    58.35000  112.70000
   61    63    68    58.35000  112.70000
   61    65    66    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    67    39    58.35000  112.70000
   63    67    72    58.35000  112.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   67    52    55    65.00000  117.92700
   67    63    64    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    44    50.00000  109.50000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   39    33    37    63.00000  111.10000
   39    44    45    55.00000  108.50000
   44    39    40    35.00000  109.50000
   72    67    39    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    67    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   41    33    37    70.00000  109.06800
   41    33    39    70.00000  112.02700
   41    46    47    35.00000  120.00000
   41    46    48    35.00000  120.00000
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    53    90.00000  110.39200
   48    46    47    35.00000  117.00000
   49    41    46    70.00000  124.00000
   49    53    54    55.00000  108.50000
   51    49    50    33.00000  107.80000
   53    49    50    35.00000  109.50000
   53    49    51    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    41  -0.62250  1.0 1.0
   24    29    33    41  -0.38450 -1.0 2.0
   24    29    33    41   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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    41    46   0.42700  1.0 1.0
   29    33    41    46  -0.70350 -1.0 2.0
   29    33    41    46  -0.43150  1.0 3.0
   29    33    41    49   0.30250  1.0 1.0
   29    33    41    49  -0.14950 -1.0 2.0
   29    33    41    49   0.36900  1.0 3.0
   33    37    42    43   0.04550  1.0 1.0
   33    37    42    43   0.83000 -1.0 2.0
   33    37    42    43  -0.04000  1.0 3.0
   33    37    42    52  -0.33500  1.0 1.0
   33    37    42    52   1.06600 -1.0 2.0
   33    37    42    52  -0.14000  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   33    41    46    47   7.00000 -1.0 2.0
   33    41    46    48   7.00000 -1.0 2.0
   33    41    49    50   0.34800  1.0 3.0
   33    41    49    51   0.34800  1.0 3.0
   33    41    49    53   0.18000  1.0 1.0
   33    41    49    53   0.16450 -1.0 2.0
   33    41    49    53   0.04450  1.0 3.0
   37    33    39    67  -0.95700  1.0 1.0
   37    33    39    67  -0.18200 -1.0 2.0
   37    33    39    67   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    44  -0.09450  1.0 1.0
   37    33    39    44  -1.12950 -1.0 2.0
   37    33    39    44   0.54000  1.0 3.0
   37    33    41    46  -0.51250  1.0 1.0
   37    33    41    46  -0.88800 -1.0 2.0
   37    33    41    46   0.08850  1.0 3.0
   37    33    41    49   0.17250  1.0 1.0
   37    33    41    49  -0.04100 -1.0 2.0
   37    33    41    49  -0.33850  1.0 3.0
   37    42    52    55   7.00000 -1.0 2.0
   37    42   -52    67   7.00000 -1.0 2.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    52   1.00000 -1.0 2.0
   42    52    55    56   0.00000  1.0 1.0
   42    52    55    57   0.00000  1.0 1.0
   42    52    55    58   0.09850  1.0 1.0
   42    52    55    58   0.15250 -1.0 2.0
   42    52    55    58  -0.50650  1.0 3.0
   42    52    67    63   0.09850  1.0 1.0
   42    52    67    63   0.15250 -1.0 2.0
   42    52    67    63  -0.50650  1.0 3.0
   42    52    67    39   0.09850  1.0 1.0
   42    52    67    39   0.15250 -1.0 2.0
   42    52    67    39  -0.50650  1.0 3.0
   42    52    67    72   0.09850  1.0 1.0
   42    52    67    72   0.15250 -1.0 2.0
   42    52    67    72  -0.50650  1.0 3.0
   43    42    52    55   7.00000 -1.0 2.0
   43    42    52    67   7.00000 -1.0 2.0
   52    55    58    59   0.15000  1.0 3.0
   52    55    58    60   0.15000  1.0 3.0
   52    55    58    61   0.34400  1.0 1.0
   52    55    58    61   0.09450 -1.0 2.0
   52    55    58    61   0.11100  1.0 3.0
   52    67   -39    33   0.34400  1.0 1.0
   52    67   -39    33   0.09450 -1.0 2.0
   52    67   -39    33   0.11100  1.0 3.0
   52    67    39    40   0.15000  1.0 3.0
   52    67    39    44   1.05650  1.0 1.0
   52    67    39    44   0.15600 -1.0 2.0
   52    67    39    44   0.53150  1.0 3.0
   52    67    72    73   0.15000  1.0 3.0
   52    67    72    74   0.15000  1.0 3.0
   52    67    72    75   0.15000  1.0 3.0
   55    52    67    63   0.46850  1.0 1.0
   55    52    67    63   0.08550 -1.0 2.0
   55    52    67    63   0.09800  1.0 3.0
   55    52    67    39   0.46850  1.0 1.0
   55    52    67    39   0.08550 -1.0 2.0
   55    52    67    39   0.09800  1.0 3.0
   55    52    67    72   0.46850  1.0 1.0
   55    52    67    72   0.08550 -1.0 2.0
   55    52    67    72   0.09800  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58   -61    63   0.56750  1.0 1.0
   55    58   -61    63  -0.07550 -1.0 2.0
   55    58   -61    63   0.20000  1.0 3.0
   55    58    61    65   0.86500  1.0 1.0
   55    58    61    65  -0.17500 -1.0 2.0
   55    58    61    65   0.20800  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    67   0.56750  1.0 1.0
   58    61    63    67  -0.07550 -1.0 2.0
   58    61    63    67   0.20000  1.0 3.0
   58    61    63    68   0.56750  1.0 1.0
   58    61    63    68  -0.07550 -1.0 2.0
   58    61    63    68   0.20000  1.0 3.0
   58    61    65    66  -0.11600  1.0 1.0
   58    61    65    66  -0.09450 -1.0 2.0
   58    61    65    66   0.21250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    65   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    65   0.23400  1.0 3.0
   61    63   -67    52   0.34400  1.0 1.0
   61    63   -67    52   0.09450 -1.0 2.0
   61    63   -67    52   0.11100  1.0 3.0
   61    63    67    39   0.56750  1.0 1.0
   61    63    67    39  -0.07550 -1.0 2.0
   61    63    67    39   0.20000  1.0 3.0
   61    63    67    72   0.56750  1.0 1.0
   61    63    67    72  -0.07550 -1.0 2.0
   61    63    67    72   0.20000  1.0 3.0
   61    63    68    69   0.15000  1.0 3.0
   61    63    68    70   0.15000  1.0 3.0
   61    63    68    71   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    63    68   0.15000  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   63    61    65    66  -0.11600  1.0 1.0
   63    61    65    66  -0.09450 -1.0 2.0
   63    61    65    66   0.21250  1.0 3.0
   63    67    39    33   0.56750  1.0 1.0
   63    67    39    33  -0.07550 -1.0 2.0
   63    67    39    33   0.20000  1.0 3.0
   63    67    39    40   0.15000  1.0 3.0
   63    67    39    44   0.86500  1.0 1.0
   63    67    39    44  -0.17500 -1.0 2.0
   63    67    39    44   0.20800  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    75   0.15000  1.0 3.0
   64    63    67    52   0.15000  1.0 3.0
   64    63    67    39   0.15000  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.15000  1.0 3.0
   67    52    55    56   0.34800  1.0 3.0
   67    52    55    57   0.34800  1.0 3.0
   67    52   -55    58   0.46850  1.0 1.0
   67    52   -55    58   0.08550 -1.0 2.0
   67    52   -55    58   0.09800  1.0 3.0
   67    63    68    69   0.15000  1.0 3.0
   67    63    68    70   0.15000  1.0 3.0
   67    63    68    71   0.15000  1.0 3.0
   67    39    44    45  -0.11600  1.0 1.0
   67    39    44    45  -0.09450 -1.0 2.0
   67    39    44    45   0.21250  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    42   0.65300  1.0 1.0
   39    33   -37    42  -0.03850 -1.0 2.0
   39    33   -37    42   0.33900  1.0 3.0
   39    33    41    46   0.09850  1.0 1.0
   39    33    41    46   0.15250 -1.0 2.0
   39    33    41    46  -0.50650  1.0 3.0
   39    33    41    49   0.46850  1.0 1.0
   39    33    41    49   0.08550 -1.0 2.0
   39    33    41    49   0.09800  1.0 3.0
   39    67    72    73   0.15000  1.0 3.0
   39    67    72    74   0.15000  1.0 3.0
   39    67    72    75   0.15000  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   72    67    39    33   0.56750  1.0 1.0
   72    67    39    33  -0.07550 -1.0 2.0
   72    67    39    33   0.20000  1.0 3.0
   72    67    39    40   0.15000  1.0 3.0
   72    67    39    44   0.86500  1.0 1.0
   72    67    39    44  -0.17500 -1.0 2.0
   72    67    39    44   0.20800  1.0 3.0
   68    63    67    52   0.34400  1.0 1.0
   68    63    67    52   0.09450 -1.0 2.0
   68    63    67    52   0.11100  1.0 3.0
   68    63    67    39   0.56750  1.0 1.0
   68    63    67    39  -0.07550 -1.0 2.0
   68    63    67    39   0.20000  1.0 3.0
   68    63    67    72   0.56750  1.0 1.0
   68    63    67    72  -0.07550 -1.0 2.0
   68    63    67    72   0.20000  1.0 3.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    67   0.86500  1.0 1.0
   65    61    63    67  -0.17500 -1.0 2.0
   65    61    63    67   0.20800  1.0 3.0
   65    61    63    68   0.86500  1.0 1.0
   65    61    63    68  -0.17500 -1.0 2.0
   65    61    63    68   0.20800  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    42   0.65300  1.0 1.0
   41    33    37    42  -0.03850 -1.0 2.0
   41    33    37    42   0.33900  1.0 3.0
   41    33    39    67   0.34400  1.0 1.0
   41    33    39    67   0.09450 -1.0 2.0
   41    33    39    67   0.11100  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    44   1.05650  1.0 1.0
   41    33    39    44   0.15600 -1.0 2.0
   41    33    39    44   0.53150  1.0 3.0
   41    49    53    54  -0.07800  1.0 1.0
   41    49    53    54  -0.21500 -1.0 2.0
   41    49    53    54  -0.03150  1.0 3.0
   46    41    49    50   0.00000  1.0 1.0
   46    41    49    51   0.00000  1.0 1.0
   46    41    49    53   0.67800  1.0 1.0
   46    41    49    53   0.47050 -1.0 2.0
   46    41    49    53  -0.62500  1.0 3.0
   49    41    46    47   7.00000 -1.0 2.0
   49    41    46    48   7.00000 -1.0 2.0
   50    49    53    54   0.19450  1.0 3.0
   51    49    53    54   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   37    43    42    52   1.10000 -1.0 2.0
   55    67    52    42   1.10000 -1.0 2.0
   33    49    41    46  15.00000 -1.0 2.0
   47    48    46    41  15.00000 -1.0 2.0
END
