* LIGAND DATABASE FILE (OPLS2005)
*
001      72    76    135    229     403
    1     0 S   NP   _N1_     1    28.75846    94.77020   -22.29420
    2     1 S   H    _HN1     2     1.02777    97.99665   -82.71825
    3     1 S   H    _H1_     3     1.02954    82.98806    24.95415
    4     1 S   H    _H2_     4     1.02827    31.14848   165.67748
    5     1 S   CT   _CA1     5     1.50127   139.58527   138.29038
    6     5 S   HC   _HA1     6     1.09576   105.17577    73.84296
    7     5 S   CO3  _C1_     7     1.53777   112.52050   -46.25011
    8     7 S   O2Z  _O11     8     1.26358   114.99161   -40.04387
    9     7 S   O2Z  _O12     9     1.26260   114.95676   139.04005
   10     5 S   CT   _CB1    10     1.53087   107.40412  -168.23690
   11    10 S   HC   HB11    11     1.09820   109.27725   -50.26084
   12    10 S   HC   HB12    12     1.09814   110.46087    66.34837
   13    10 S   CT   _CG1    13     1.52932   112.61215  -171.35212
   14    13 S   HC   HG11    14     1.09499   110.38970   -65.88034
   15    13 S   HC   HG12    15     1.09670   109.93688    53.24194
   16    13 S   C    _CD1    16     1.51787   112.50023   173.51055
   17    16 S   O    _OE1    17     1.22711   123.34042    -1.11943
   18    16 S   N    _N2_    18     1.38620   111.49243   179.47961
   19    18 S   H    _HN2    19     1.01577   118.92061     0.61166
   20    18 S   CT1  _CA2    20     1.46268   123.56208   177.48153
   21    20 S   HC   _HA2    21     1.09738   109.40843    -3.05108
   22    20 S   C    _C2_    22     1.53523   108.31966  -118.37929
   23    22 S   O    _O2_    23     1.23031   122.45922  -148.38188
   24    20 S   CT   _CB2    32     1.53347   111.37073   119.15507
   25    24 S   HC   HB21    33     1.09537   109.65206    54.27225
   26    24 S   HC   HB22    34     1.09407   110.19677   173.19557
   27    22 S   N    _N3_    24     1.38393   113.54979    39.16120
   28    27 S   H    _HN3    25     1.01609   119.48323    -3.52214
   29    24 S   S    _SG2    35     1.82853   111.00217   -67.35672
   30    27 S   CT   _CA3    26     1.45274   123.18015   177.04322
   31    30 S   HC   HA31    27     1.09550   107.52142   -64.25444
   32    30 S   HC   HA32    28     1.09558   107.96819    52.17229
   33    29 S   CT   _C20    36     1.87673   100.38417   153.35246
   34    33 S   HC   _H3_    37     1.09682   107.52957   -32.78177
   35    30 S   CO3  _C3_    29     1.52942   114.10228   174.16178
   36    35 S   O2Z  _O31    30     1.26371   116.06279    -0.61421
   37    35 S   O2Z  _O32    31     1.26428   114.41086   179.44433
   38    33 S   CA   _C12    38     1.53803   106.96510  -148.06629
   39    38 S   CA   _C13    39     1.42572   121.63315    75.33691
   40    38 S   CA   _C11    59     1.41438   119.60954  -102.38670
   41    39 S   CM   _C19    40     1.48432   122.86105     3.45349
   42    41 S   HC   _H14    41     1.08207   119.82331     0.46562
   43    40 S   CT   _C23    60     1.51652   123.55311    -6.29373
   44    43 S   HC   _H6_    61     1.09773   108.45453   135.32134
   45    39 S   CR3  _C14    71     1.42501   120.67651  -176.51260
   46    41 S   CM   _C18    42     1.34117   122.03270  -179.59944
   47    46 S   HC   _H13    43     1.08497   120.66815   179.81977
   48    43 S   CT   _C22    62     1.53346   115.43638    12.30966
   49    48 S   HC   _H5_    63     1.09916   109.01581  -159.17358
   50    43 S   OH   _O33    69     1.43179   106.63114  -108.88666
   51    50 S   HO   _H15    70     0.97214   107.41161  -175.91352
   52    53 S   CR3  _C15    72     1.40862   118.88124    -0.13122
   53    46 S   CA   _C16    44     1.46545   120.69397    -0.09279
   54    33 S   CT   _C21    64     1.56646   117.03841    86.35671
   55    54 S   OM   _O35    65     1.32455   111.20790   -51.23915
   56    54 S   HC   _H4_    66     1.10334   104.48218  -177.71441
   57    48 S   OH   _O34    67     1.42837   108.23975    85.72809
   58    57 S   HO   _H16    68     0.97418   105.88709  -161.74326
   59    53 S   CA   _C17    45     1.39884   120.47136   179.94405
   60    59 S   HA   _H12    46     1.08730   120.80498    -0.30710
   61    59 S   CA   _C4_    47     1.39192   120.07520  -179.91153
   62    61 S   HA   _H7_    48     1.08624   119.92954   179.66604
   63    61 S   CA   _C5_    49     1.39393   120.05497    -0.17471
   64    63 S   HA   _H8_    50     1.08794   118.77491   180.00000
   65    63 S   CA   _C6_    51     1.40380   120.64889     0.05935
   66    65 S   CA   _C7_    52     1.39791   121.18039  -179.95154
   67    66 S   HA   _H9_    53     1.08779   120.71049     0.02798
   68    66 S   CA   _C8_    54     1.39369   120.43012   180.00000
   69    68 S   HA   _H10    55     1.08824   118.61484  -179.89165
   70    68 S   CA   _C9_    56     1.40200   120.85305     0.11703
   71    70 S   CA   _C10    57     1.39722   120.67964  -179.71333
   72    71 S   HA   _H11    58     1.09013   119.36874     0.80915
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  17  14  14   8   4  13   7  12   7   3   9
   6   4   1  12   8   4   2   1   1   1   6   3   5   3   5   2
   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    54    55    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    71    40    43    48    49    54    55    56    57    45  
   38    39    40    48    54    55    56  
   36    37  
   37  
    0  
   39    41    42    46    70    71    72    40    43    44    48    54    55    56    50    45    52  
   41    42    46    47    53    65    68    70    71    40    43    54    45    52  
   43    44    48    49    54    57    50    51    45    41    68    70    71    72  
   42    46    47    53    59    70    45    52  
   46    47    53    45  
   44    48    49    54    55    56    57    58    50    51    70    71    72  
   48    49    54    57    50    51    71  
   52    46    53    59    63    65    66    68    69    70    71    72  
   47    53    59    60    61    65    52  
   53    59    52  
   49    54    55    56    57    58    50    51    71  
   54    55    56    57    58    50  
   51    54    57    71  
    0  
   53    59    60    61    63    64    65    66    67    68    70    71  
   59    60    61    62    63    65    66    70  
   55    56    57    58  
   56    57  
   57  
   58  
    0  
   60    61    62    63    64    65  
   61    62    63  
   62    63    64    65    66  
   63    64    65  
   64    65    66    67    68  
   65    66  
   66    67    68    69    70  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72  
   70    71  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   56   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    54   268.000  1.529
   38    39   469.000  1.400
   38    40   469.000  1.400
   39    41   320.000  1.460
   39    45   490.000  1.398
   41    42   340.000  1.080
   41    46   549.000  1.340
   46    47   340.000  1.080
   46    53   320.000  1.460
   53    59   469.000  1.400
   53    52   490.000  1.398
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    52   490.000  1.398
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    45   490.000  1.398
   71    72   367.000  1.080
   71    40   469.000  1.400
   40    43   317.000  1.510
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    50   320.000  1.410
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    57   320.000  1.410
   54    55   570.000  1.307
   54    56   340.000  1.090
   57    58   553.000  0.945
   50    51   553.000  0.945
   45    52   490.000  1.398
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    54    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    40    70.00000  120.00000
   33    54    48    58.35000  112.70000
   33    54    55    50.00000  109.50000
   33    54    56    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    41    60.00000  120.93500
   38    39    45    70.00000  112.88000
   38    40    71    63.00000  120.00000
   38    40    43    70.00000  120.00000
   39    41    42    40.00000  117.26300
   39    41    46    60.00000  123.20500
   39    45    70    60.00000  130.80000
   39    45    52    60.00000  130.80000
   41    46    47    35.00000  120.00000
   41    46    53    60.00000  123.20500
   46    41    42    35.00000  120.00000
   46    53    59    60.00000  120.93500
   46    53    52    60.00000  120.93500
   53    46    47    40.00000  117.26300
   53    59    60    35.00000  120.00000
   53    59    61    63.00000  120.00000
   53    52    65    60.00000  130.80000
   53    52    45    60.00000  130.80000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    63.00000  120.00000
   63    65    52    70.00000  112.88000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    52    45    60.00000  130.80000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    45    70.00000  112.88000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    40    63.00000  120.00000
   70    45    52    60.00000  130.80000
   71    40    43    70.00000  120.00000
   40    38    39    63.00000  120.00000
   40    71    72    35.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    48    70.00000  112.17500
   40    43    50    90.00000  112.51600
   43    48    49    37.50000  110.70000
   43    48    54    58.35000  112.70000
   43    48    57    50.00000  109.50000
   43    50    51    55.00000  108.50000
   48    43    44    37.50000  110.70000
   48    54    55    50.00000  109.50000
   48    54    56    37.50000  110.70000
   48    57    58    55.00000  108.50000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.17500
   54    48    49    37.50000  110.70000
   56    54    55    45.00000  125.66300
   57    48    49    35.00000  109.50000
   57    48    54    50.00000  109.50000
   50    43    44    35.00000  109.50000
   50    43    48    50.00000  109.50000
   45    39    41    60.00000  120.93500
   45    70    71    70.00000  112.88000
   52    53    59    70.00000  112.88000
   52    65    66    70.00000  112.88000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    54    48   0.44750  1.0 1.0
   29    33    54    48  -0.17800 -1.0 2.0
   29    33    54    48   0.20200  1.0 3.0
   29    33    54    55   0.56750  1.0 1.0
   29    33    54    55  -0.07550 -1.0 2.0
   29    33    54    55   0.20000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    39    45   3.62500 -1.0 2.0
   33    38    40    71   3.62500 -1.0 2.0
   33    38    40    43   3.62500 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    55   0.23400  1.0 3.0
   34    33    54    56   0.15000  1.0 3.0
   38    33    54    48  -0.03700  1.0 1.0
   38    33    54    48   0.37200 -1.0 2.0
   38    33    54    48  -0.47300  1.0 3.0
   38    33    54    55  -0.64350  1.0 1.0
   38    33    54    55  -0.04200 -1.0 2.0
   38    33    54    55   0.19800  1.0 3.0
   38    33    54    56   0.43200  1.0 3.0
   38    39    41    42   0.56550  1.0 3.0
   38    39    41    46   0.15800  1.0 1.0
   38    39    41    46   1.85350 -1.0 2.0
   38    39    41    46  -0.48700  1.0 3.0
   38    39    45    70   3.62500 -1.0 2.0
   38    39    45    52   3.62500 -1.0 2.0
   38    40    43    44   0.00000  1.0 1.0
   38    40   -43    48   0.04150 -1.0 2.0
   38    40    43    50   0.14300 -1.0 2.0
   38    40    43    50   0.00300  1.0 3.0
   39    38    40    71   3.62500 -1.0 2.0
   39    38    40    43   3.62500 -1.0 2.0
   39    41    46    47   7.00000 -1.0 2.0
   39    41    46    53   7.00000 -1.0 2.0
   39    45   -52    53   3.62500 -1.0 2.0
   39    45    52    65   3.62500 -1.0 2.0
   41    39    45    70   3.62500 -1.0 2.0
   41    39    45    52   3.62500 -1.0 2.0
   41    46    53    59   0.15800  1.0 1.0
   41    46    53    59   1.85350 -1.0 2.0
   41    46    53    59  -0.48700  1.0 3.0
   41    46   -53    52   0.15800  1.0 1.0
   41    46   -53    52   1.85350 -1.0 2.0
   41    46   -53    52  -0.48700  1.0 3.0
   42    41    46    47   7.00000 -1.0 2.0
   42    41    46    53   7.00000 -1.0 2.0
   46    53    59    60   3.62500 -1.0 2.0
   46    53    59    61   3.62500 -1.0 2.0
   46    53    52    65   3.62500 -1.0 2.0
   46    53    52    45   3.62500 -1.0 2.0
   47    46    53    59   0.56550  1.0 3.0
   47    46    53    52   0.56550  1.0 3.0
   53    59    61    62   3.62500 -1.0 2.0
   53    59    61    63   3.62500 -1.0 2.0
   59    53    52    65   3.62500 -1.0 2.0
   59    53    52    45   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61   -63    65   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63    65    52   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65    66    68   3.62500 -1.0 2.0
   63    65   -52    53   3.62500 -1.0 2.0
   63    65    52    45   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    52   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   66    65    52    53   3.62500 -1.0 2.0
   66    65    52    45   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    45   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    40   3.62500 -1.0 2.0
   68    70    45    39   3.62500 -1.0 2.0
   68    70    45    52   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    45   3.62500 -1.0 2.0
   70    71   -40    38   3.62500 -1.0 2.0
   70    71    40    43   3.62500 -1.0 2.0
   70    45    52    53   3.62500 -1.0 2.0
   70    45   -52    65   3.62500 -1.0 2.0
   71    70   -45    39   3.62500 -1.0 2.0
   71    70    45    52   3.62500 -1.0 2.0
   71    40    43    44   0.00000  1.0 1.0
   71    40    43    48   0.04150 -1.0 2.0
   71    40    43    50   0.14300 -1.0 2.0
   71    40    43    50   0.00300  1.0 3.0
   72    71    40    38   3.62500 -1.0 2.0
   72    71    40    43   3.62500 -1.0 2.0
   40    38    39    41   3.62500 -1.0 2.0
   40    38    39    45   3.62500 -1.0 2.0
   40    43    48    49   0.43200  1.0 3.0
   40    43    48    54  -0.03700  1.0 1.0
   40    43    48    54   0.37200 -1.0 2.0
   40    43    48    54  -0.47300  1.0 3.0
   40    43    48    57   1.13150  1.0 1.0
   40    43    48    57  -1.01400 -1.0 2.0
   40    43    50    51   0.31900  1.0 1.0
   40    43    50    51  -0.11800 -1.0 2.0
   40    43    50    51   0.38750  1.0 3.0
   43    48   -54    33   0.56750  1.0 1.0
   43    48   -54    33  -0.07550 -1.0 2.0
   43    48   -54    33   0.20000  1.0 3.0
   43    48    54    55   0.62750  1.0 1.0
   43    48    54    55  -0.30950 -1.0 2.0
   43    48    54    55   0.27300  1.0 3.0
   43    48    54    56   0.15000  1.0 3.0
   43    48    57    58  -0.11600  1.0 1.0
   43    48    57    58  -0.09450 -1.0 2.0
   43    48    57    58   0.21250  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    54   0.15000  1.0 3.0
   44    43    48    57   0.23400  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   48    43    50    51  -0.11600  1.0 1.0
   48    43    50    51  -0.09450 -1.0 2.0
   48    43    50    51   0.21250  1.0 3.0
   49    48    54    33   0.15000  1.0 3.0
   49    48    54    55   0.23400  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    57    58   0.19450  1.0 3.0
   54    33    38    39   0.04150 -1.0 2.0
   54    33   -38    40   0.04150 -1.0 2.0
   54    48    57    58  -0.11600  1.0 1.0
   54    48    57    58  -0.09450 -1.0 2.0
   54    48    57    58   0.21250  1.0 3.0
   57    48    54    33   0.86500  1.0 1.0
   57    48    54    33  -0.17500 -1.0 2.0
   57    48    54    33   0.20800  1.0 3.0
   57    48    54    55   3.69350  1.0 1.0
   57    48    54    55  -1.82950 -1.0 2.0
   57    48    54    56   0.23400  1.0 3.0
   50    43    48    49   0.23400  1.0 3.0
   50    43    48    54   0.86500  1.0 1.0
   50    43    48    54  -0.17500 -1.0 2.0
   50    43    48    54   0.20800  1.0 3.0
   50    43    48    57   3.75450  1.0 1.0
   45    39    41    42   0.56550  1.0 3.0
   45    39   -41    46   0.15800  1.0 1.0
   45    39   -41    46   1.85350 -1.0 2.0
   45    39   -41    46  -0.48700  1.0 3.0
   45    70    71    72   3.62500 -1.0 2.0
   45    70   -71    40   3.62500 -1.0 2.0
   52    53    59    60   3.62500 -1.0 2.0
   52    53   -59    61   3.62500 -1.0 2.0
   52    65    66    67   3.62500 -1.0 2.0
   52    65   -66    68   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   39    40    38    33   4.00000 -1.0 2.0
   41    45    39    38   4.00000 -1.0 2.0
   39    42    41    46   1.10000 -1.0 2.0
   53    47    46    41   1.10000 -1.0 2.0
   59    52    53    46   4.00000 -1.0 2.0
   61    60    59    53   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   66    52    65    63   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    45    70    68   4.00000 -1.0 2.0
   40    72    71    70   1.10000 -1.0 2.0
   71    43    40    38   4.00000 -1.0 2.0
   70    52    45    39   4.00000 -1.0 2.0
   65    45    52    53   4.00000 -1.0 2.0
END
