* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    219     389
    1     0 S   NP   _N1_     1    29.05700    98.50957   -23.13398
    2     1 S   H    _HN1     2     1.02937    56.49925     5.20326
    3     1 S   H    _H1_     3     1.02825    52.02044   169.00021
    4     1 S   H    _H2_     4     1.02803   110.55350   -93.84044
    5     1 S   CT   _CA1     5     1.50099   137.17799    89.55663
    6     5 S   HC   _HA1     6     1.09586   105.07474   115.12184
    7     5 S   CO3  _C1_     7     1.53797   113.07594    -4.69515
    8     7 S   O2Z  _O11     8     1.26347   115.04785   -30.87881
    9     7 S   O2Z  _O12     9     1.26368   115.03384   148.61868
   10     5 S   CT   _CB1    10     1.53129   107.41931  -126.95391
   11    10 S   HC   HB11    11     1.09832   109.20648   -50.38169
   12    10 S   HC   HB12    12     1.09804   110.47987    66.28264
   13    10 S   CT   _CG1    13     1.52888   112.50741  -171.43856
   14    13 S   HC   HG11    14     1.09422   110.52273   -72.79967
   15    13 S   HC   HG12    15     1.09680   109.58259    46.26609
   16    13 S   C    _CD1    16     1.51645   112.40572   167.13702
   17    16 S   O    _OE1    17     1.22696   123.27127    18.95169
   18    16 S   N    _N2_    18     1.38535   111.48910  -160.83351
   19    18 S   H    _HN2    19     1.01586   118.84429     0.21850
   20    18 S   CT1  _CA2    20     1.46260   123.97202   174.61777
   21    20 S   HC   _HA2    21     1.09718   109.46407    12.85827
   22    20 S   C    _C2_    22     1.53879   108.75352  -102.79009
   23    22 S   O    _O2_    23     1.23093   122.31295  -148.61935
   24    20 S   CT   _CB2    32     1.53238   110.59242   135.44538
   25    24 S   HC   HB21    33     1.09476   109.06531    50.89239
   26    24 S   HC   HB22    34     1.09503   110.88369   169.45781
   27    22 S   N    _N3_    24     1.38330   114.00602    38.93178
   28    27 S   H    _HN3    25     1.01478   119.68078    -2.50382
   29    24 S   S    _SG2    35     1.83521   111.07033   -72.01107
   30    27 S   CT   _CA3    26     1.45271   123.40983   177.61140
   31    30 S   HC   HA31    27     1.09543   107.45768   -66.72249
   32    30 S   HC   HA32    28     1.09552   108.09420    49.79005
   33    29 S   CT   _C11    36     1.86623   102.49049   144.62921
   34    33 S   OM   _O40    37     1.31985   110.45582    42.32438
   35    30 S   CO3  _C3_    29     1.53012   113.95948   171.82336
   36    35 S   O2Z  _O31    30     1.26404   116.10207    -0.77202
   37    35 S   O2Z  _O32    31     1.26427   114.41501   179.28591
   38    33 S   CO4  _C10    38     1.53526   104.93392   -75.54780
   39    38 S   O    _O33    39     1.22994   125.03667    99.71207
   40    33 S   CT   _C12    50     1.56890   113.83566   164.08754
   41    40 S   HC   _H3_    51     1.10550   106.12344  -168.95283
   42    38 S   CA   _C9_    40     1.48195   116.83115   -76.04679
   43    40 S   CM   _C14    52     1.55290   116.26124   -50.12732
   44    42 S   CA   _C4_    41     1.40335   118.89306   150.98735
   45    44 S   HA   _H4_    42     1.08682   120.65483     0.62807
   46    43 S   CO4  _C23    53     1.50052   113.68079   -90.68708
   47    46 S   O    _O36    54     1.22699   122.35184   -16.72710
   48    44 S   CA   _C5_    43     1.39268   119.50805  -178.74930
   49    46 S   CA   _C22    55     1.46708   118.48303   162.85873
   50    48 S   CA   _C6_    44     1.38963   120.76327    -0.06256
   51    50 S   HA   _H5_    45     1.08673   120.20463   179.75934
   52    49 S   CA   _C17    56     1.38107   118.95633    17.98333
   53    48 S   OH   _O42    72     1.36501   121.57577   179.84805
   54    53 S   HO   _H10    73     0.97484   109.72719    -8.74938
   55    50 S   CA   _C7_    46     1.39405   119.50926    -0.25488
   56    52 S   CA   _C18    57     1.41009   120.09574   178.45440
   57    56 S   HA   _H6_    58     1.09200   118.68864  -179.90721
   58    52 S   CO4  _C16    66     1.47213   120.25518    -0.29475
   59    58 S   O    _O35    67     1.23031   118.39974   164.22564
   60    42 S   CA   _C8_    47     1.39649   120.64569   -28.37462
   61    56 S   CA   _C19    59     1.41297   123.31152     0.34150
   62    61 S   OM   _O38    60     1.27677   122.82676   179.83214
   63    43 S   CMA  _C15    68     1.36040   125.05017    91.28237
   64    63 S   OM   _O39    69     1.26594   130.04897     0.04846
   65    55 S   OH   _O41    70     1.36989   115.85608   179.81762
   66    65 S   HO   _H9_    71     0.97443   108.66605  -179.34718
   67    60 S   CO4  _C13    48     1.47942   119.96062    -5.11182
   68    67 S   O    _O34    49     1.23197   118.54110  -158.86063
   69    61 S   CA   _C20    61     1.40983   114.40155    -0.21122
   70    69 S   HA   _H7_    62     1.09147   119.00245   179.98022
   71    49 S   CA   _C21    63     1.39614   122.34310  -163.48553
   72    71 S   OH   _O37    64     1.36986   123.29772     1.67900
   73    72 S   HO   _H8_    65     0.97417   108.55881    -1.43640
  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
  13   7   2   1   1  11   4  13   6  10  12   9   4  11   4   7
  12   8   4  11   2   1   5   9   4   5   2   4   5   3   2   1
   2   1   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    67    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    44    60    67    68    40    41    43    46    63  
   38    39    42    67    40    41    43  
   36    37  
   37  
    0  
   39    42    44    45    48    55    60    67    40    41    43  
   42    44    60    40  
   41    43    46    47    49    58    63    64    42    55    60    67    68  
   43    46    63    60    67    68  
   44    45    48    50    55    60    67    68    65    53  
   46    47    49    52    71    58    59    63    64    60    67    68  
   45    48    50    51    55    60    67    53    54  
   48    50    60    53  
   47    49    52    56    69    71    72    58    63    64    67  
   49    52    71    63  
   50    51    55    60    65    53    54  
   52    56    57    61    69    70    71    72    73    58    59    63  
   51    55    60    67    65    66    53    54  
   55    60    65    53  
   56    57    61    62    69    71    72    58    59    63    64  
   54    55  
    0  
   60    67    68    65    66  
   57    61    62    69    70    71    58    59    63  
   61    62    69    58  
   59    63    64    61    71  
   63    64  
   67    68    65    66  
   62    69    70    71    72  
   69    70    71  
   64    67  
    0  
   66    67  
    0  
   68  
    0  
   70    71    72    73  
   71    72  
   72    73  
   73  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   64   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    44   469.000  1.400
   42    60   469.000  1.400
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    50   469.000  1.400
   48    53   450.000  1.364
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    60   469.000  1.400
   55    65   450.000  1.364
   60    67   310.000  1.470
   67    68   570.000  1.229
   67    40   317.000  1.522
   40    41   340.000  1.090
   40    43   317.000  1.510
   43    46   320.000  1.462
   43    63   465.000  1.376
   46    47   570.000  1.229
   46    49   310.000  1.470
   49    52   469.000  1.400
   49    71   469.000  1.400
   52    56   469.000  1.400
   52    58   310.000  1.470
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   450.000  1.364
   61    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   58    59   570.000  1.229
   58    63   270.000  1.476
   63    64   745.000  1.250
   65    66   553.000  0.945
   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    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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    67    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.02700
   38    33    34    90.00000  108.74100
   38    42    44    60.00000  119.52600
   38    42    60    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    44    45    35.00000  120.00000
   42    44    48    63.00000  120.00000
   42    60    55    63.00000  120.00000
   42    60    67    60.00000  119.52600
   44    48    50    63.00000  120.00000
   44    48    53    70.00000  120.00000
   48    44    45    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    55    63.00000  120.00000
   48    53    54    35.00000  113.00000
   50    55    60    63.00000  120.00000
   50    55    65    70.00000  120.00000
   55    50    51    35.00000  120.00000
   55    60    67    60.00000  119.52600
   55    65    66    35.00000  113.00000
   60    42    44    63.00000  120.00000
   60    67    68    75.00000  123.78400
   60    67    40    65.00000  115.47100
   67    40    41    35.00000  109.50000
   67    40    43    70.00000  109.06800
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    67    68    80.00000  120.40000
   40    43    46    65.00000  116.34900
   40    43    63    70.00000  124.00000
   43    40    41    35.00000  109.50000
   43    46    47    80.00000  123.72100
   43    46    49    65.00000  117.02400
   43    63    58    65.00000  114.61000
   43    63    64    65.00000  137.10300
   46    49    52    60.00000  119.52600
   46    49    71    60.00000  119.52600
   49    46    47    75.00000  123.78400
   49    52    56    63.00000  120.00000
   49    52    58    60.00000  119.52600
   49    71    69    63.00000  120.00000
   49    71    72    70.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    61    63.00000  120.00000
   52    58    59    75.00000  123.78400
   52    58    63    60.00000  117.44000
   56    61    62    70.00000  120.00000
   56    61    69    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    69    70    35.00000  120.00000
   61    69    71    63.00000  120.00000
   69    61    62    70.00000  120.00000
   69    71    72    70.00000  120.00000
   71    49    52    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  113.00000
   58    52    56    60.00000  119.52600
   58    63    64    85.00000  116.28000
   63    43    46    60.00000  125.92000
   63    58    59    80.00000  120.81000
   65    55    60    70.00000  120.00000
   53    48    50    70.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    67   0.56750  1.0 1.0
   29    33    40    67  -0.07550 -1.0 2.0
   29    33    40    67   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    44   2.26350  1.0 1.0
   33    38    42    44   0.76750 -1.0 2.0
   33    38    42    44   0.22500  1.0 3.0
   33    38    42    60   2.26350  1.0 1.0
   33    38    42    60   0.76750 -1.0 2.0
   33    38    42    60   0.22500  1.0 3.0
   33    40    43    46   0.09700  1.0 1.0
   33    40    43    46   0.15600 -1.0 2.0
   33    40    43    46  -0.50800  1.0 3.0
   33    40    43    63   0.09850  1.0 1.0
   33    40    43    63   0.15250 -1.0 2.0
   33    40    43    63  -0.50650  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.65300  1.0 1.0
   34    33    38    42  -0.03850 -1.0 2.0
   34    33    38    42   0.33900  1.0 3.0
   34    33    40    67  -0.09450  1.0 1.0
   34    33    40    67  -1.12950 -1.0 2.0
   34    33    40    67   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.61850  1.0 1.0
   34    33    40    43  -0.22750 -1.0 2.0
   34    33    40    43   0.15300  1.0 3.0
   38    33    40    67   0.11950  1.0 1.0
   38    33    40    67   0.20300 -1.0 2.0
   38    33    40    67  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    42    44    45   3.62500 -1.0 2.0
   38    42    44    48   3.62500 -1.0 2.0
   38    42    60    55   3.62500 -1.0 2.0
   38    42   -60    67   3.62500 -1.0 2.0
   39    38    42    44   1.05000 -1.0 2.0
   39    38    42    60   1.05000 -1.0 2.0
   42    44    48    50   3.62500 -1.0 2.0
   42    44    48    53   3.62500 -1.0 2.0
   42    60    67    68   1.05000 -1.0 2.0
   42    60    67    40   2.26350  1.0 1.0
   42    60    67    40   0.76750 -1.0 2.0
   42    60    67    40   0.22500  1.0 3.0
   44    42    60    55   3.62500 -1.0 2.0
   44    42    60    67   3.62500 -1.0 2.0
   44    48    50    51   3.62500 -1.0 2.0
   44    48   -50    55   3.62500 -1.0 2.0
   44    48    53    54   0.84100 -1.0 2.0
   45    44    48    50   3.62500 -1.0 2.0
   45    44    48    53   3.62500 -1.0 2.0
   48    50    55    60   3.62500 -1.0 2.0
   48    50    55    65   3.62500 -1.0 2.0
   50    48    53    54   0.84100 -1.0 2.0
   50    55   -60    42   3.62500 -1.0 2.0
   50    55    60    67   3.62500 -1.0 2.0
   50    55    65    66   0.84100 -1.0 2.0
   51    50    55    60   3.62500 -1.0 2.0
   51    50    55    65   3.62500 -1.0 2.0
   55    60    67    68   1.05000 -1.0 2.0
   55    60    67    40   2.26350  1.0 1.0
   55    60    67    40   0.76750 -1.0 2.0
   55    60    67    40   0.22500  1.0 3.0
   60    42    44    45   3.62500 -1.0 2.0
   60    42   -44    48   3.62500 -1.0 2.0
   60    55    65    66   0.84100 -1.0 2.0
   60    67   -40    33   0.05850 -1.0 2.0
   60    67   -40    33   0.17250  1.0 3.0
   60    67    40    41   0.00000  1.0 1.0
   60    67    40    43   0.65300  1.0 1.0
   60    67    40    43  -0.03850 -1.0 2.0
   60    67    40    43   0.33900  1.0 3.0
   67    40    43    46   0.09700  1.0 1.0
   67    40    43    46   0.15600 -1.0 2.0
   67    40    43    46  -0.50800  1.0 3.0
   67    40    43    63  -0.51250  1.0 1.0
   67    40    43    63  -0.88800 -1.0 2.0
   67    40    43    63   0.08850  1.0 3.0
   68    67    40    33   0.30150 -1.0 2.0
   68    67    40    41   0.00000  1.0 1.0
   68    67    40    43   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.05850 -1.0 2.0
   40    33   -38    42   0.17250  1.0 3.0
   40    43    46    47  -0.64400  1.0 1.0
   40    43    46    47   0.26850 -1.0 2.0
   40    43    46    49   1.50000 -1.0 2.0
   40    43    63    58   7.00000 -1.0 2.0
   40    43    63    64   7.00000 -1.0 2.0
   41    40    43    46   0.15000  1.0 3.0
   41    40    43    63   0.00000  1.0 1.0
   43    46    49    52  -0.11500  1.0 1.0
   43    46    49    52   1.10450 -1.0 2.0
   43    46    49    52  -0.48050  1.0 3.0
   43    46    49    71  -0.11500  1.0 1.0
   43    46    49    71   1.10450 -1.0 2.0
   43    46    49    71  -0.48050  1.0 3.0
   46    43    63    58   7.00000 -1.0 2.0
   46    43    63    64   7.00000 -1.0 2.0
   46    49    52    56   3.62500 -1.0 2.0
   46    49   -52    58   3.62500 -1.0 2.0
   46    49    71    69   3.62500 -1.0 2.0
   46    49    71    72   3.62500 -1.0 2.0
   47    46    49    52   1.05000 -1.0 2.0
   47    46    49    71   1.05000 -1.0 2.0
   49    52    56    57   3.62500 -1.0 2.0
   49    52    56    61   3.62500 -1.0 2.0
   49    52    58    59   1.05000 -1.0 2.0
   49    52    58    63  -0.11500  1.0 1.0
   49    52    58    63   1.10450 -1.0 2.0
   49    52    58    63  -0.48050  1.0 3.0
   49    71    72    73   0.84100 -1.0 2.0
   52    49    71    69   3.62500 -1.0 2.0
   52    49    71    72   3.62500 -1.0 2.0
   52    56    61    62   3.62500 -1.0 2.0
   52    56   -61    69   3.62500 -1.0 2.0
   52    58   -63    43  -1.65800  1.0 1.0
   52    58   -63    43   0.77650 -1.0 2.0
   52    58    63    64   1.50000 -1.0 2.0
   56    52    58    59   1.05000 -1.0 2.0
   56    52    58    63  -0.11500  1.0 1.0
   56    52    58    63   1.10450 -1.0 2.0
   56    52    58    63  -0.48050  1.0 3.0
   56    61    69    70   3.62500 -1.0 2.0
   56    61    69    71   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    69   3.62500 -1.0 2.0
   61    69   -71    49   3.62500 -1.0 2.0
   61    69    71    72   3.62500 -1.0 2.0
   62    61    69    70   3.62500 -1.0 2.0
   62    61    69    71   3.62500 -1.0 2.0
   69    71    72    73   0.84100 -1.0 2.0
   70    69    71    49   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    49   -52    56   3.62500 -1.0 2.0
   71    49    52    58   3.62500 -1.0 2.0
   58    52    56    57   3.62500 -1.0 2.0
   58    52    56    61   3.62500 -1.0 2.0
   59    58    63    43   1.00000 -1.0 2.0
   59    58    63    64  -0.11900  1.0 1.0
   59    58    63    64   0.76850 -1.0 2.0
   59    58    63    64   0.14100  1.0 3.0
   63    43    46    47   1.00000 -1.0 2.0
   63    43   -46    49  -1.65800  1.0 1.0
   63    43   -46    49   0.77650 -1.0 2.0
   65    55    60    42   3.62500 -1.0 2.0
   65    55    60    67   3.62500 -1.0 2.0
   53    48    50    51   3.62500 -1.0 2.0
   53    48    50    55   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
   33    42    38    39  10.50000 -1.0 2.0
   44    60    42    38   4.00000 -1.0 2.0
   48    45    44    42   1.10000 -1.0 2.0
   50    53    48    44   4.00000 -1.0 2.0
   55    51    50    48   1.10000 -1.0 2.0
   60    65    55    50   4.00000 -1.0 2.0
   55    67    60    42   4.00000 -1.0 2.0
   60    40    67    68  10.50000 -1.0 2.0
   40    46    43    63   1.10000 -1.0 2.0
   43    49    46    47  10.50000 -1.0 2.0
   52    71    49    46   4.00000 -1.0 2.0
   56    58    52    49   4.00000 -1.0 2.0
   61    57    56    52   1.10000 -1.0 2.0
   69    62    61    56   4.00000 -1.0 2.0
   71    70    69    61   1.10000 -1.0 2.0
   69    72    71    49   4.00000 -1.0 2.0
   52    63    58    59  10.50000 -1.0 2.0
   58    64    63    43   1.10000 -1.0 2.0
END
