* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    127    215     380
    1     0 S   NP   _N1_     1    28.39739    94.32824   -23.10542
    2     1 S   H    _HN1     2     1.02964    88.21785    17.86207
    3     1 S   H    _H1_     3     1.02833    25.05011   157.21162
    4     1 S   H    _H2_     4     1.02775    99.47441   -90.43779
    5     1 S   CT   _CA1     5     1.50144   134.43318   135.00791
    6     5 S   HC   _HA1     6     1.09579   105.19557    68.93324
    7     5 S   CO3  _C1_     7     1.53770   112.44650   -51.15099
    8     7 S   O2Z  _O11     8     1.26354   114.99868   -41.86658
    9     7 S   O2Z  _O12     9     1.26245   114.91951   137.22920
   10     5 S   CT   _CB1    10     1.53089   107.39166  -173.23253
   11    10 S   HC   HB11    11     1.09824   109.19514   -51.23971
   12    10 S   HC   HB12    12     1.09818   110.43909    65.25948
   13    10 S   CT   _CG1    13     1.53010   112.76074  -172.40793
   14    13 S   HC   HG11    14     1.09598   110.39734   -65.61113
   15    13 S   HC   HG12    15     1.09657   109.99827    53.60608
   16    13 S   C    _CD1    16     1.51835   112.35603   173.82308
   17    16 S   O    _OE1    17     1.22713   123.27174    -3.03744
   18    16 S   N    _N2_    18     1.38633   111.64579   177.56008
   19    18 S   H    _HN2    19     1.01577   118.94229     1.52084
   20    18 S   CT1  _CA2    20     1.46183   123.41934   179.21916
   21    20 S   HC   _HA2    21     1.09728   109.57613    -1.49017
   22    20 S   C    _C2_    22     1.53478   108.05791  -117.20504
   23    22 S   O    _O2_    23     1.23030   122.24148  -141.46241
   24    20 S   CT   _CB2    32     1.53489   111.57909   120.72068
   25    24 S   HC   HB21    33     1.09403   109.32622    56.14485
   26    24 S   HC   HB22    34     1.09398   109.50860   174.98378
   27    22 S   N    _N3_    24     1.38502   113.43620    45.43407
   28    27 S   H    _HN3    25     1.01502   118.99747    -0.04423
   29    24 S   S    _SG2    35     1.82950   111.45315   -64.96083
   30    27 S   CT   _CA3    26     1.45456   123.43330   175.53617
   31    30 S   HC   HA31    27     1.09523   109.26345    24.11793
   32    30 S   HC   HA32    28     1.09497   107.11691   141.11424
   33    29 S   CT   _C12    36     1.86808   102.25745   179.27557
   34    30 S   CO3  _C3_    29     1.52918   113.07787   -99.38381
   35    34 S   O2Z  _O31    30     1.26403   115.37454   -45.34644
   36    34 S   O2Z  _O32    31     1.26350   114.99735   135.56698
   37    33 S   CO4  _C13    37     1.52812   104.22440   -66.26796
   38    37 S   O    _O33    38     1.23175   121.45680   -69.11816
   39    33 S   CM   _C14    55     1.56273   115.55377   176.68188
   40    37 S   CA   _C8_    39     1.48826   119.72381   110.15217
   41    39 S   CO4  _C23    56     1.51231   112.42289   167.78331
   42    41 S   O    _O35    57     1.22718   121.99519    19.74953
   43    40 S   CA   _C9_    40     1.39885   120.69429     5.39696
   44    41 S   CA   _C22    58     1.46423   119.02180  -158.75091
   45    43 S   CA   _C4_    41     1.40455   120.37304  -179.90935
   46    45 S   HA   _H3_    42     1.08742   120.65331   180.00000
   47    43 S   CO4  _C10    51     1.47108   122.12466     0.34321
   48    47 S   O    _O40    52     1.22352   121.81402   177.05649
   49    44 S   CA   _C17    59     1.37824   118.53871   -21.75237
   50    45 S   CA   _C5_    43     1.39138   119.91193     0.02798
   51    33 S   CO4  _C11    53     1.50932   106.66283    59.42149
   52    51 S   O    _O39    54     1.22634   124.71071    67.23448
   53    49 S   CA   _C18    60     1.40859   120.24192  -178.73051
   54    53 S   HA   _H5_    61     1.09195   118.69738   179.85735
   55    49 S   CO4  _C16    69     1.46847   119.66536    -0.42475
   56    55 S   O    _O34    70     1.23006   118.26224  -160.55223
   57    50 S   CA   _C6_    44     1.38744   120.57650    -0.07662
   58    57 S   HA   _H4_    45     1.08689   120.21497  -180.00000
   59    50 S   OH   _O42    49     1.36565   121.18026   179.93744
   60    59 S   HO   _H9_    50     0.97252   108.79377    -0.06561
   61    53 S   CA   _C19    62     1.41282   123.13795    -0.46013
   62    61 S   OM   _O37    63     1.27655   122.79486  -179.61948
   63    39 S   CMA  _C15    71     1.36229   128.43729   -14.96489
   64    63 S   OM   _O38    72     1.26357   130.69235    -1.53773
   65    40 S   CA   _C7_    46     1.40797   120.74227  -174.59401
   66    61 S   CA   _C20    64     1.41043   114.46377     0.49968
   67    66 S   HA   _H6_    65     1.09153   118.98900   179.81025
   68    65 S   OH   _O41    47     1.37023   123.66270     0.06561
   69    68 S   HO   _H8_    48     0.97386   109.07504    -1.65422
   70    44 S   CA   _C21    66     1.39514   122.65212   159.71417
   71    70 S   OH   _O36    67     1.36935   123.31064    -1.22461
   72    71 S   HO   _H7_    68     0.97337   108.70128     4.73524
  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  10   5   4   3
  16   2   1   1  13   5  13  12  11   4  11  12  10   4   5   2
  11   6   2   1   9   4   5   2   6   3   2   1   5   3   1   1
   2   4   2   1   1   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    40    47    51    52    39    41    63  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    65    47    48    51    52    39    41    42    44    55    63    64  
   35    36  
   36  
    0  
   38    40    43    45    57    65    68    47    51    52    39    41    63  
   40    43    65    51    39  
   41    42    44    49    70    55    56    63    64    40    47    51    52  
   43    45    46    50    57    58    65    68    69    47    48    51  
   42    44    49    53    66    70    71    55    63    64    51  
   44    49    70    63  
   45    46    50    57    65    68    59    47    48    51    52  
   49    53    54    61    66    67    70    71    72    55    56    63  
   46    50    57    58    65    59    60    47    48    51  
   50    57    59    47  
   48    51    52    50    65  
   51    52  
   53    54    61    62    66    70    71    55    56    63    64  
   57    58    65    68    59    60  
   52    63  
    0  
   54    61    62    66    67    70    55    56    63  
   61    62    66    55  
   56    63    64    61    70  
   63    64  
   58    65    68    69    59    60  
   65    68    59  
   60    65  
    0  
   62    66    67    70    71  
   66    67    70  
   64  
    0  
   68    69  
   67    70    71    72  
   70    71  
   69  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700   0.150000   2.0020   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    51   317.000  1.522
   33    39   317.000  1.510
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    65   469.000  1.400
   43    45   469.000  1.400
   43    47   310.000  1.470
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    57   469.000  1.400
   50    59   450.000  1.364
   57    58   367.000  1.080
   57    65   469.000  1.400
   65    68   450.000  1.364
   68    69   553.000  0.945
   59    60   553.000  0.945
   47    48   570.000  1.229
   47    51   250.000  1.523
   51    52   570.000  1.229
   39    41   320.000  1.462
   39    63   465.000  1.376
   41    42   570.000  1.229
   41    44   310.000  1.470
   44    49   469.000  1.400
   44    70   469.000  1.400
   49    53   469.000  1.400
   49    55   310.000  1.470
   53    54   367.000  1.080
   53    61   469.000  1.400
   61    62   450.000  1.364
   61    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   55    56   570.000  1.229
   55    63   270.000  1.476
   63    64   745.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    51    75.00000  110.18000
   29    33    39    75.00000  112.20000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    51    47    65.00000  115.45000
   33    51    52    80.00000  120.40000
   33    39    41    65.00000  116.34900
   33    39    63    70.00000  124.00000
   37    40    43    60.00000  119.52600
   37    40    65    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    45    63.00000  120.00000
   40    43    47    60.00000  119.52600
   40    65    57    63.00000  120.00000
   40    65    68    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    50    63.00000  120.00000
   43    47    48    75.00000  123.78400
   43    47    51    60.00000  117.28700
   45    50    57    63.00000  120.00000
   45    50    59    70.00000  120.00000
   50    45    46    35.00000  120.00000
   50    57    58    35.00000  120.00000
   50    57    65    63.00000  120.00000
   50    59    60    35.00000  113.00000
   57    65    68    70.00000  120.00000
   65    40    43    63.00000  120.00000
   65    57    58    35.00000  120.00000
   65    68    69    35.00000  113.00000
   59    50    57    70.00000  120.00000
   47    43    45    60.00000  119.52600
   47    51    52    80.00000  119.30300
   51    33    37    75.00000  107.99600
   51    47    48    80.00000  119.30300
   39    33    37    70.00000  109.06800
   39    33    51    70.00000  109.06800
   39    41    42    80.00000  123.72100
   39    41    44    65.00000  117.02400
   39    63    55    65.00000  114.61000
   39    63    64    65.00000  137.10300
   41    44    49    60.00000  119.52600
   41    44    70    60.00000  119.52600
   44    41    42    75.00000  123.78400
   44    49    53    63.00000  120.00000
   44    49    55    60.00000  119.52600
   44    70    66    63.00000  120.00000
   44    70    71    70.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    61    63.00000  120.00000
   49    55    56    75.00000  123.78400
   49    55    63    60.00000  117.44000
   53    61    62    70.00000  120.00000
   53    61    66    63.00000  120.00000
   61    53    54    35.00000  120.00000
   61    66    67    35.00000  120.00000
   61    66    70    63.00000  120.00000
   66    61    62    70.00000  120.00000
   66    70    71    70.00000  120.00000
   70    44    49    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    72    35.00000  113.00000
   55    49    53    60.00000  119.52600
   55    63    64    85.00000  116.28000
   63    39    41    60.00000  125.92000
   63    55    56    80.00000  120.81000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    51    47   0.65300  1.0 1.0
   29    33    51    47  -0.03850 -1.0 2.0
   29    33    51    47   0.33900  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   29    33    39    41   0.09700  1.0 1.0
   29    33    39    41   0.15600 -1.0 2.0
   29    33    39    41  -0.50800  1.0 3.0
   29    33    39    63   0.42700  1.0 1.0
   29    33    39    63  -0.70350 -1.0 2.0
   29    33    39    63  -0.43150  1.0 3.0
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    65   2.26350  1.0 1.0
   33    37    40    65   0.76750 -1.0 2.0
   33    37    40    65   0.22500  1.0 3.0
   33    39    41    42  -0.64400  1.0 1.0
   33    39    41    42   0.26850 -1.0 2.0
   33    39    41    44   1.50000 -1.0 2.0
   33    39    63    55   7.00000 -1.0 2.0
   33    39    63    64   7.00000 -1.0 2.0
   37    33    51    47   0.65300  1.0 1.0
   37    33    51    47  -0.03850 -1.0 2.0
   37    33    51    47   0.33900  1.0 3.0
   37    33    51    52   0.30150 -1.0 2.0
   37    33    39    41   0.09700  1.0 1.0
   37    33    39    41   0.15600 -1.0 2.0
   37    33    39    41  -0.50800  1.0 3.0
   37    33    39    63  -0.51250  1.0 1.0
   37    33    39    63  -0.88800 -1.0 2.0
   37    33    39    63   0.08850  1.0 3.0
   37    40    43    45   3.62500 -1.0 2.0
   37    40   -43    47   3.62500 -1.0 2.0
   37    40    65    57   3.62500 -1.0 2.0
   37    40    65    68   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    65   1.05000 -1.0 2.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    50   3.62500 -1.0 2.0
   40    43    47    48   1.05000 -1.0 2.0
   40    43    47    51   0.56600 -1.0 2.0
   40    65    68    69   0.84100 -1.0 2.0
   43    40    65    57   3.62500 -1.0 2.0
   43    40    65    68   3.62500 -1.0 2.0
   43    45   -50    57   3.62500 -1.0 2.0
   43    45    50    59   3.62500 -1.0 2.0
   43    47   -51    33   0.43900  1.0 1.0
   43    47   -51    33  -0.18150 -1.0 2.0
   43    47   -51    33  -0.03650  1.0 3.0
   43    47    51    52   0.03000  1.0 1.0
   43    47    51    52   0.58800 -1.0 2.0
   43    47    51    52   0.15550  1.0 3.0
   45    43    47    48   1.05000 -1.0 2.0
   45    43    47    51   0.56600 -1.0 2.0
   45    50    57    58   3.62500 -1.0 2.0
   45    50    57    65   3.62500 -1.0 2.0
   45    50    59    60   0.84100 -1.0 2.0
   46    45    50    57   3.62500 -1.0 2.0
   46    45    50    59   3.62500 -1.0 2.0
   50    57   -65    40   3.62500 -1.0 2.0
   50    57    65    68   3.62500 -1.0 2.0
   57    50    59    60   0.84100 -1.0 2.0
   57    65    68    69   0.84100 -1.0 2.0
   58    57    65    40   3.62500 -1.0 2.0
   58    57    65    68   3.62500 -1.0 2.0
   65    40   -43    45   3.62500 -1.0 2.0
   65    40    43    47   3.62500 -1.0 2.0
   59    50    57    58   3.62500 -1.0 2.0
   59    50    57    65   3.62500 -1.0 2.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    50   3.62500 -1.0 2.0
   48    47    51    33   0.49600 -1.0 2.0
   48    47    51    52   0.06100 -1.0 2.0
   51    33    37    38   0.30150 -1.0 2.0
   51    33   -37    40   0.65300  1.0 1.0
   51    33   -37    40  -0.03850 -1.0 2.0
   51    33   -37    40   0.33900  1.0 3.0
   51    33    39    41   0.09700  1.0 1.0
   51    33    39    41   0.15600 -1.0 2.0
   51    33    39    41  -0.50800  1.0 3.0
   51    33    39    63  -0.51250  1.0 1.0
   51    33    39    63  -0.88800 -1.0 2.0
   51    33    39    63   0.08850  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    51    47   0.65300  1.0 1.0
   39    33    51    47  -0.03850 -1.0 2.0
   39    33    51    47   0.33900  1.0 3.0
   39    33    51    52   0.30150 -1.0 2.0
   39    41    44    49  -0.11500  1.0 1.0
   39    41    44    49   1.10450 -1.0 2.0
   39    41    44    49  -0.48050  1.0 3.0
   39    41    44    70  -0.11500  1.0 1.0
   39    41    44    70   1.10450 -1.0 2.0
   39    41    44    70  -0.48050  1.0 3.0
   41    39    63    55   7.00000 -1.0 2.0
   41    39    63    64   7.00000 -1.0 2.0
   41    44    49    53   3.62500 -1.0 2.0
   41    44   -49    55   3.62500 -1.0 2.0
   41    44    70    66   3.62500 -1.0 2.0
   41    44    70    71   3.62500 -1.0 2.0
   42    41    44    49   1.05000 -1.0 2.0
   42    41    44    70   1.05000 -1.0 2.0
   44    49    53    54   3.62500 -1.0 2.0
   44    49    53    61   3.62500 -1.0 2.0
   44    49    55    56   1.05000 -1.0 2.0
   44    49    55    63  -0.11500  1.0 1.0
   44    49    55    63   1.10450 -1.0 2.0
   44    49    55    63  -0.48050  1.0 3.0
   44    70    71    72   0.84100 -1.0 2.0
   49    44    70    66   3.62500 -1.0 2.0
   49    44    70    71   3.62500 -1.0 2.0
   49    53    61    62   3.62500 -1.0 2.0
   49    53   -61    66   3.62500 -1.0 2.0
   49    55   -63    39  -1.65800  1.0 1.0
   49    55   -63    39   0.77650 -1.0 2.0
   49    55    63    64   1.50000 -1.0 2.0
   53    49    55    56   1.05000 -1.0 2.0
   53    49    55    63  -0.11500  1.0 1.0
   53    49    55    63   1.10450 -1.0 2.0
   53    49    55    63  -0.48050  1.0 3.0
   53    61    66    67   3.62500 -1.0 2.0
   53    61    66    70   3.62500 -1.0 2.0
   54    53    61    62   3.62500 -1.0 2.0
   54    53    61    66   3.62500 -1.0 2.0
   61    66   -70    44   3.62500 -1.0 2.0
   61    66    70    71   3.62500 -1.0 2.0
   62    61    66    67   3.62500 -1.0 2.0
   62    61    66    70   3.62500 -1.0 2.0
   66    70    71    72   0.84100 -1.0 2.0
   67    66    70    44   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   70    44   -49    53   3.62500 -1.0 2.0
   70    44    49    55   3.62500 -1.0 2.0
   55    49    53    54   3.62500 -1.0 2.0
   55    49    53    61   3.62500 -1.0 2.0
   56    55    63    39   1.00000 -1.0 2.0
   56    55    63    64  -0.11900  1.0 1.0
   56    55    63    64   0.76850 -1.0 2.0
   56    55    63    64   0.14100  1.0 3.0
   63    39    41    42   1.00000 -1.0 2.0
   63    39   -41    44  -1.65800  1.0 1.0
   63    39   -41    44   0.77650 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   43    65    40    37   4.00000 -1.0 2.0
   45    47    43    40   4.00000 -1.0 2.0
   50    46    45    43   1.10000 -1.0 2.0
   57    59    50    45   4.00000 -1.0 2.0
   65    58    57    50   1.10000 -1.0 2.0
   57    68    65    40   4.00000 -1.0 2.0
   43    51    47    48  10.50000 -1.0 2.0
   33    47    51    52  10.50000 -1.0 2.0
   33    41    39    63   1.10000 -1.0 2.0
   39    44    41    42  10.50000 -1.0 2.0
   49    70    44    41   4.00000 -1.0 2.0
   53    55    49    44   4.00000 -1.0 2.0
   61    54    53    49   1.10000 -1.0 2.0
   66    62    61    53   4.00000 -1.0 2.0
   70    67    66    61   1.10000 -1.0 2.0
   66    71    70    44   4.00000 -1.0 2.0
   49    63    55    56  10.50000 -1.0 2.0
   55    64    63    39   1.10000 -1.0 2.0
END
