* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    126    200     370
    1     0 S   NP   _N1_     1    28.63150    94.15839   -23.17365
    2     1 S   H    _HN1     2     1.02778   102.76912   -81.69599
    3     1 S   H    _H1_     3     1.02964    86.56812    26.34114
    4     1 S   H    _H2_     4     1.02835    24.58213   173.07253
    5     1 S   CT   _CA1     5     1.50125   132.48364   141.06151
    6     5 S   HC   _HA1     6     1.09580   105.21675    72.70525
    7     5 S   CO3  _C1_     7     1.53768   112.40981   -47.45925
    8     7 S   O2Z  _O11     8     1.26359   114.98272   -43.14589
    9     7 S   O2Z  _O12     9     1.26242   114.91035   135.98961
   10     5 S   CT   _CB1    10     1.53093   107.42455  -169.41589
   11    10 S   HC   HB11    11     1.09828   109.25169   -51.09527
   12    10 S   HC   HB12    12     1.09820   110.44121    65.42959
   13    10 S   CT   _CG1    13     1.53017   112.71469  -172.21825
   14    13 S   HC   HG11    14     1.09600   110.45039   -65.12689
   15    13 S   HC   HG12    15     1.09659   109.96285    54.10146
   16    13 S   C    _CD1    16     1.51828   112.32611   174.40161
   17    16 S   O    _OE1    17     1.22722   123.25934    -0.92662
   18    16 S   N    _N2_    18     1.38627   111.64108   179.36944
   19    18 S   H    _HN2    19     1.01579   119.00502     1.06294
   20    18 S   CT1  _CA2    20     1.46231   123.41462   179.28591
   21    20 S   HC   _HA2    21     1.09738   109.46657    -4.82288
   22    20 S   C    _C2_    22     1.53483   108.17494  -120.37894
   23    22 S   O    _O2_    23     1.23014   122.26867  -144.04251
   24    20 S   CT   _CB2    32     1.53524   111.55211   117.29975
   25    24 S   HC   HB21    33     1.09330   109.42841    56.83266
   26    24 S   HC   HB22    34     1.09465   109.55727   175.45317
   27    22 S   N    _N3_    24     1.38521   113.42728    43.15023
   28    27 S   H    _HN3    25     1.01504   118.96677    -0.41401
   29    24 S   S    _SG2    35     1.83070   111.17336   -65.27143
   30    27 S   CT   _CA3    26     1.45454   123.46911   175.28109
   31    30 S   HC   HA31    27     1.09521   109.29401    23.55321
   32    30 S   HC   HA32    28     1.09497   107.11212   140.55875
   33    29 S   CT   _C7_    36     1.88084   102.91164   168.28881
   34    30 S   CO3  _C3_    29     1.52916   113.05310   -99.96543
   35    34 S   O2Z  _O31    30     1.26405   115.37220   -45.42027
   36    34 S   O2Z  _O32    31     1.26350   115.00379   135.49524
   37    33 S   CM   _C8_    37     1.50833   108.87178    51.40145
   38    37 S   HC   _H9_    38     1.09161   115.15543   -69.85821
   39    33 S   CT   _C10    54     1.56317   107.69685   -70.31405
   40    39 S   HC   _H3_    55     1.09535   112.03059    57.37923
   41    37 S   CMA  _C9_    39     1.35654   127.64466   114.10605
   42    41 S   OM   _O34    40     1.26601   122.98836   175.98005
   43    39 S   CA   _C11    56     1.49024   117.90051  -176.67116
   44    39 S   OS   _O36    68     1.46176   109.88800   -61.17411
   45    41 S   OS   _O33    41     1.40272   117.30232    -3.07842
   46    43 S   CA   _C12    57     1.38520   130.48154   -62.37968
   47    46 S   HA   _H10    58     1.08471   121.59745     0.52749
   48    45 S   CT   _C5_    42     1.43446   119.73667   -21.54598
   49    46 S   CA   _C13    59     1.39923   118.66990  -179.23664
   50    49 S   HA   _H11    60     1.08701   119.63485  -179.59749
   51    33 S   CT   _C6_    43     1.54590   106.69408   169.97191
   52    51 S   HC   _H7_    44     1.09821   112.15398    38.41996
   53    51 S   HC   _H8_    45     1.09807   108.06935   153.90547
   54    48 S   CT   _C4_    46     1.53958   105.69582   165.25624
   55    54 S   HC   _H4_    47     1.09638   110.98732    58.65428
   56    54 S   HC   _H5_    48     1.09636   110.98992   -58.96082
   57    54 S   HC   _H6_    49     1.09504   111.61311   179.83807
   58    48 S   CT   _C18    50     1.53469   109.27646   -79.21773
   59    58 S   HC   _H14    51     1.09687   110.50024   -62.43778
   60    58 S   HC   _H15    52     1.09478   111.51438   177.39661
   61    58 S   HC   _H16    53     1.09341   112.48691    54.59872
   62    49 S   CA   _C14    61     1.40375   120.74794     0.59083
   63    62 S   HA   _H12    62     1.08658   119.69437   179.93744
   64    62 S   CA   _C15    63     1.39389   120.36319     0.26688
   65    64 S   HA   _H13    64     1.08424   120.89647   179.49993
   66    43 S   CA   _C16    65     1.38213   109.79518   119.57800
   67    66 S   CO4  _C17    66     1.45201   109.20828    -0.21670
   68    67 S   O    _O35    67     1.21451   126.84680  -179.40587
  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  12   5   4   3
  18   2   1   1  12   5  15   6   6   2  12   6  12   8   4  11
   6   3  10   3   2   7   3   2   1   3   2   1   1   5   3   4
   2   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    48    51    52    53    39    40    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    45    48    51    52    53    54    58    39    40    43    46    66    67    44  
   35    36  
   36  
    0  
   38    41    42    45    48    51    52    53    39    40    43    44  
   41    42    45    51    39  
   40    43    46    47    49    64    66    67    68    44    41    48    51    52    53  
   43    46    66    67    44    51  
   42    45    48    51    54    58  
   45    48  
   46    47    49    50    62    64    65    66    67    68    44    51  
   46    51    64    66    67    68  
   48    51    52    53    54    55    56    57    58    59    60    61  
   47    49    50    62    63    64    66    67  
   49    50    62    66  
   51    52    53    54    55    56    57    58    59    60    61  
   50    62    63    64    65    66  
   62    63    64  
   52    53    54    55    56    57    58    59    60    61  
   53    54    58  
   54    58  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67  
   64    65    66  
   65    66    67    68  
   66    67  
   67    68  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    45   440.000  1.360
   45    48   320.000  1.410
   48    51   268.000  1.529
   48    54   268.000  1.529
   48    58   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    44   320.000  1.410
   43    46   469.000  1.400
   43    66   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   310.000  1.470
   67    68   570.000  1.229
   67    44   214.000  1.327
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    53    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  112.17500
   33    39    44    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    45    80.00000  120.01400
   41    37    38    40.00000  120.50800
   41    45    48    90.00000  111.18400
   45    41    42    65.00000  121.00000
   45    48    51    50.00000  109.50000
   45    48    54    50.00000  109.50000
   45    48    58    50.00000  109.50000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   48    58    59    37.50000  110.70000
   48    58    60    37.50000  110.70000
   48    58    61    37.50000  110.70000
   51    33    37    70.00000  112.02700
   53    51    52    33.00000  107.80000
   54    48    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    48    51    58.35000  112.70000
   58    48    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    51    58.35000  112.70000
   39    43    46    70.00000  120.00000
   39    43    66    70.00000  120.00000
   39    44    67    83.00000  116.90000
   43    39    40    35.00000  109.50000
   43    46    47    35.00000  120.00000
   43    46    49    63.00000  120.00000
   43    66    64    63.00000  120.00000
   43    66    67    60.00000  119.52600
   46    49    50    35.00000  120.00000
   46    49    62    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    62    63    35.00000  120.00000
   49    62    64    63.00000  120.00000
   62    49    50    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    60.00000  119.52600
   66    43    46    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    68    75.00000  123.78400
   66    67    44    81.00000  111.40000
   44    39    40    35.00000  109.50000
   44    39    43    85.00000  111.85700
   44    67    68    83.00000  123.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  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
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    45   7.00000 -1.0 2.0
   33    39    43    46   0.04150 -1.0 2.0
   33    39    43    66   0.04150 -1.0 2.0
   33    39    44    67  -0.25900  1.0 1.0
   33    39    44    67  -0.47000 -1.0 2.0
   33    39    44    67   0.11750  1.0 3.0
   37    33    51    48   0.34400  1.0 1.0
   37    33    51    48   0.09450 -1.0 2.0
   37    33    51    48   0.11100  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    53   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.21200  1.0 1.0
   37    33    39    43   0.16900 -1.0 2.0
   37    33    39    43  -1.15100  1.0 3.0
   37    33    39    44   0.61850  1.0 1.0
   37    33    39    44  -0.22750 -1.0 2.0
   37    33    39    44   0.15300  1.0 3.0
   37    41   -45    48  -2.26850  1.0 1.0
   37    41   -45    48   3.39050 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    45   7.00000 -1.0 2.0
   41    45    48    51  -0.46850  1.0 1.0
   41    45    48    51   0.09300 -1.0 2.0
   41    45    48    51  -0.12850  1.0 3.0
   41    45    48    54  -0.46850  1.0 1.0
   41    45    48    54   0.09300 -1.0 2.0
   41    45    48    54  -0.12850  1.0 3.0
   41    45    48    58  -0.46850  1.0 1.0
   41    45    48    58   0.09300 -1.0 2.0
   41    45    48    58  -0.12850  1.0 3.0
   42    41    45    48   2.00000 -1.0 2.0
   45    48   -51    33   0.62750  1.0 1.0
   45    48   -51    33  -0.30950 -1.0 2.0
   45    48   -51    33   0.27300  1.0 3.0
   45    48    51    52   0.23400  1.0 3.0
   45    48    51    53   0.23400  1.0 3.0
   45    48    54    55   0.23400  1.0 3.0
   45    48    54    56   0.23400  1.0 3.0
   45    48    54    57   0.23400  1.0 3.0
   45    48    58    59   0.23400  1.0 3.0
   45    48    58    60   0.23400  1.0 3.0
   45    48    58    61   0.23400  1.0 3.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    41   0.09850  1.0 1.0
   51    33   -37    41   0.15250 -1.0 2.0
   51    33   -37    41  -0.50650  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    33    39    43  -0.03700  1.0 1.0
   51    33    39    43   0.37200 -1.0 2.0
   51    33    39    43  -0.47300  1.0 3.0
   51    33    39    44   0.62750  1.0 1.0
   51    33    39    44  -0.30950 -1.0 2.0
   51    33    39    44   0.27300  1.0 3.0
   51    48    54    55   0.15000  1.0 3.0
   51    48    54    56   0.15000  1.0 3.0
   51    48    54    57   0.15000  1.0 3.0
   51    48    58    59   0.15000  1.0 3.0
   51    48    58    60   0.15000  1.0 3.0
   51    48    58    61   0.15000  1.0 3.0
   54    48    51    33   0.56750  1.0 1.0
   54    48    51    33  -0.07550 -1.0 2.0
   54    48    51    33   0.20000  1.0 3.0
   54    48    51    52   0.15000  1.0 3.0
   54    48    51    53   0.15000  1.0 3.0
   54    48    58    59   0.15000  1.0 3.0
   54    48    58    60   0.15000  1.0 3.0
   54    48    58    61   0.15000  1.0 3.0
   58    48    51    33   0.56750  1.0 1.0
   58    48    51    33  -0.07550 -1.0 2.0
   58    48    51    33   0.20000  1.0 3.0
   58    48    51    52   0.15000  1.0 3.0
   58    48    51    53   0.15000  1.0 3.0
   58    48    54    55   0.15000  1.0 3.0
   58    48    54    56   0.15000  1.0 3.0
   58    48    54    57   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    51    48   0.56750  1.0 1.0
   39    33    51    48  -0.07550 -1.0 2.0
   39    33    51    48   0.20000  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33    51    53   0.15000  1.0 3.0
   39    43    46    47   3.62500 -1.0 2.0
   39    43    46    49   3.62500 -1.0 2.0
   39    43    66    64   3.62500 -1.0 2.0
   39    43   -66    67   3.62500 -1.0 2.0
   40    39    43    46   0.00000  1.0 1.0
   40    39    43    66   0.00000  1.0 1.0
   40    39    44    67   0.08050  1.0 3.0
   43    39   -44    67  -0.43900 -1.0 2.0
   43    39   -44    67   0.14100  1.0 3.0
   43    46    49    50   3.62500 -1.0 2.0
   43    46    49    62   3.62500 -1.0 2.0
   43    66    67    68   1.05000 -1.0 2.0
   43    66   -67    44   0.98750 -1.0 2.0
   46    43    66    64   3.62500 -1.0 2.0
   46    43    66    67   3.62500 -1.0 2.0
   46    49    62    63   3.62500 -1.0 2.0
   46    49   -62    64   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    62   3.62500 -1.0 2.0
   49    62    64    65   3.62500 -1.0 2.0
   49    62    64    66   3.62500 -1.0 2.0
   50    49    62    63   3.62500 -1.0 2.0
   50    49    62    64   3.62500 -1.0 2.0
   62    64   -66    43   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   1.05000 -1.0 2.0
   64    66    67    44   0.98750 -1.0 2.0
   65    64    66    43   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   66    43    46    47   3.62500 -1.0 2.0
   66    43   -46    49   3.62500 -1.0 2.0
   66    67   -44    39   0.59950  1.0 1.0
   66    67   -44    39   3.24850 -1.0 2.0
   68    67    44    39   3.00000 -1.0 2.0
   44    39    43    46   0.64500  1.0 1.0
   44    39    43    46   0.14800 -1.0 2.0
   44    39    43    46   0.20650  1.0 3.0
   44    39   -43    66   0.64500  1.0 1.0
   44    39   -43    66   0.14800 -1.0 2.0
   44    39   -43    66   0.20650  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    38    37    41   1.10000 -1.0 2.0
   42    45    41    37   1.10000 -1.0 2.0
   46    66    43    39   4.00000 -1.0 2.0
   49    47    46    43   1.10000 -1.0 2.0
   62    50    49    46   1.10000 -1.0 2.0
   64    63    62    49   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   64    67    66    43   4.00000 -1.0 2.0
   66    44    67    68  10.50000 -1.0 2.0
END
