* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    197     387
    1     0 S   NP   _N1_     1    28.20436    98.02945   -23.68005
    2     1 S   H    _HN1     2     1.02957    69.01052    -0.35553
    3     1 S   H    _H1_     3     1.02835    40.14255   160.04151
    4     1 S   H    _H2_     4     1.02776   108.22138  -103.56302
    5     1 S   CT   _CA1     5     1.50128   136.82148    97.48837
    6     5 S   HC   _HA1     6     1.09575   105.21645    96.89773
    7     5 S   CO3  _C1_     7     1.53786   112.36931   -23.29464
    8     7 S   O2Z  _O11     8     1.26365   114.99808   -43.81463
    9     7 S   O2Z  _O12     9     1.26237   114.93274   135.29920
   10     5 S   CT   _CB1    10     1.53098   107.42275  -145.19093
   11    10 S   HC   HB11    11     1.09827   109.33278   -50.52336
   12    10 S   HC   HB12    12     1.09816   110.42669    66.03378
   13    10 S   CT   _CG1    13     1.53015   112.66889  -171.59547
   14    13 S   HC   HG11    14     1.09594   110.48929   -64.39232
   15    13 S   HC   HG12    15     1.09657   109.91824    54.80608
   16    13 S   C    _CD1    16     1.51840   112.32578   175.17566
   17    16 S   O    _OE1    17     1.22750   123.29988     0.31714
   18    16 S   N    _N2_    18     1.38567   111.70661  -179.70261
   19    18 S   H    _HN2    19     1.01561   118.99305     4.56789
   20    18 S   CT1  _CA2    20     1.45818   122.88827   177.82624
   21    20 S   HC   _HA2    21     1.09731   108.95023    23.11137
   22    20 S   C    _C2_    22     1.52923   107.04314   -93.89566
   23    22 S   O    _O2_    23     1.22968   123.05542   -26.45526
   24    20 S   CT   _CB2    32     1.53207   112.22832   146.23230
   25    24 S   HC   HB21    33     1.09597   110.23903    54.08775
   26    24 S   HC   HB22    34     1.09420   110.03065   172.97934
   27    22 S   N    _N3_    24     1.38491   112.52735   156.33354
   28    27 S   H    _HN3    25     1.01652   120.35733    -2.39245
   29    24 S   S    _SG2    35     1.82608   111.09962   -66.52692
   30    27 S   CT   _CA3    26     1.45360   122.53377   178.53781
   31    30 S   HC   HA31    27     1.09567   107.88650   -54.35802
   32    30 S   HC   HA32    28     1.09561   107.55742    62.00501
   33    29 S   CT   _C17    36     1.83875    99.55957   176.18654
   34    33 S   HC   _H3_    37     1.09565   107.87634   -43.68827
   35    30 S   CO3  _C3_    29     1.52903   114.26621  -176.28575
   36    35 S   O2Z  _O31    30     1.26346   116.03511     0.59149
   37    35 S   O2Z  _O32    31     1.26429   114.42407  -179.47066
   38    33 S   CM   _C10    38     1.50296   107.69407  -160.59149
   39    38 S   HC   _H27    39     1.09101   115.24370    66.74124
   40    38 S   CMA  _C11    40     1.35468   126.66887  -114.26246
   41    40 S   OM   _O19    41     1.26131   126.37576   178.61591
   42    40 S   N    _N18    42     1.42376   118.30212     2.57952
   43    42 S   CT   _C16    43     1.47553   116.72701    17.64620
   44    43 S   HC   _H32    44     1.09587   110.27979  -168.50486
   45    43 S   HC   _H33    45     1.09676   107.77345    75.05198
   46    42 S   C    _C14    49     1.41557   128.00493  -167.94352
   47    46 S   O    _O20    50     1.23436   123.50299  -155.30337
   48    33 S   CT   _C15    46     1.52548   112.02047    76.95466
   49    48 S   HC   _H30    47     1.09482   112.52205   -41.40321
   50    48 S   HC   _H31    48     1.09894   108.53068  -158.60379
   51    46 S   CM   _C13    51     1.49390   117.36287    30.61558
   52    51 S   HC   _H29    52     1.08406   117.85845    24.49254
   53    51 S   CM   _C12    53     1.34120   119.90374  -158.27377
   54    53 S   HC   _H28    54     1.08734   120.47467     0.37115
   55    53 S   CA   _C6_    55     1.47259   123.80699  -178.98567
   56    55 S   CA   _C4_    56     1.40434   118.54097   146.39679
   57    56 S   HA   _H25    57     1.08690   118.41178    -1.41416
   58    56 S   CA   _C7_    58     1.39775   120.77631   178.79034
   59    58 S   CA   _C9_    59     1.40346   118.80850     0.22294
   60    58 S   OS   _O21    73     1.37105   125.11883  -179.62991
   61    59 S   CA   _C8_    60     1.40342   121.39879    -2.29533
   62    59 S   OS   _O23    68     1.37721   119.22686  -178.45111
   63    60 S   CT   _C18    74     1.42218   117.25537    -0.12511
   64    63 S   HC   _H35    75     1.09429   107.73983   179.97202
   65    63 S   HC   _H36    76     1.09497   111.14806    62.24732
   66    63 S   HC   _H37    77     1.09497   111.13434   -62.32062
   67    55 S   CA   _C5_    61     1.40477   122.00682   -36.68429
   68    67 S   HA   _H26    62     1.08651   118.73258     0.41069
   69    61 S   OS   _O22    63     1.37121   116.09284  -177.37938
   70    62 S   CT   _C20    69     1.42838   110.05029   -92.08738
   71    70 S   HC   _H41    70     1.09406   107.77987   179.91153
   72    70 S   HC   _H42    71     1.09544   111.32655    61.64087
   73    70 S   HC   _H43    72     1.09542   111.33467   -61.81637
   74    69 S   CT   _C19    64     1.42250   117.22051  -179.59170
   75    74 S   HC   _H38    65     1.09429   107.72709   179.49371
   76    74 S   HC   _H39    66     1.09501   111.16245    61.78244
   77    74 S   HC   _H40    67     1.09496   111.12972   -62.81113
  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
  12   7   2   1   1   9   4   9   3  11   8   5   4   7   3   2
   1   1   6   3   8   3   9   9   4  11  12   6   9   6   3   2
   1   1   3   1   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    48    49    50  
   38    39    40    43    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    48    49    50    46  
   40    41    42    48  
   41    42    43    44    45    48    46    47    51  
   42    43    46  
   43    44    45    48    49    50    46    47    51    52    53  
   44    45    48    49    50    46    47    51  
   45    48    49    50    46  
   48    49    50    46  
   47    51    52    53    54    55    48  
   51    52    53  
   49    50  
   50  
    0  
   52    53    54    55    56    67  
   53    54    55  
   54    55    56    57    58    61    67    68  
   55    56    67  
   56    57    58    59    61    67    68    69    60  
   57    58    59    61    67    68    62    60    63  
   58    59    67    60  
   59    61    67    69    62    70    60    63    64    65    66  
   61    67    68    69    74    62    70    71    72    73    60    63  
   63    64    65    66    61    62  
   67    68    69    74    75    76    77    62    70  
   70    71    72    73    67    69  
   64    65    66  
   65    66  
   66  
    0  
   68    69    74  
   69  
   74    75    76    77  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    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   0.107500   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.592500   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.000000   2.5000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    48   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   400.000  1.384
   42    43   337.000  1.449
   42    46   490.000  1.335
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   46    47   570.000  1.229
   46    51   410.000  1.444
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   340.000  1.080
   53    55   320.000  1.460
   55    56   469.000  1.400
   55    67   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   469.000  1.400
   58    60   450.000  1.364
   59    61   469.000  1.400
   59    62   450.000  1.364
   61    67   469.000  1.400
   61    69   450.000  1.364
   67    68   367.000  1.080
   69    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   62    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   60    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
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    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    48    43    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    50    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    75.00000  120.83300
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  119.94800
   40    42    46    70.00000  120.89900
   42    40    41   110.00000  107.01400
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    48    70.00000  110.72300
   42    46    47    80.00000  122.90000
   42    46    51    80.00000  111.56200
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   45    43    44    33.00000  107.80000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   50    48    49    33.00000  107.80000
   46    42    43    50.00000  121.90000
   46    51    52    35.00000  119.70000
   46    51    53    70.00000  118.70000
   51    46    47    80.00000  125.30000
   51    53    54    35.00000  120.00000
   51    53    55    60.00000  123.20500
   53    51    52    35.00000  120.00000
   53    55    56    60.00000  120.93500
   53    55    67    60.00000  120.93500
   55    53    54    40.00000  117.26300
   55    56    57    35.00000  120.00000
   55    56    58    63.00000  120.00000
   55    67    61    63.00000  120.00000
   55    67    68    35.00000  120.00000
   56    58    59    63.00000  120.00000
   56    58    60    70.00000  120.00000
   58    56    57    35.00000  120.00000
   58    59    61    63.00000  120.00000
   58    59    62    70.00000  120.00000
   58    60    63    75.00000  111.00000
   59    61    67    63.00000  120.00000
   59    61    69    70.00000  120.00000
   59    62    70    75.00000  111.00000
   61    67    68    35.00000  120.00000
   61    69    74    75.00000  111.00000
   67    55    56    63.00000  120.00000
   69    61    67    70.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   62    59    61    70.00000  120.00000
   62    70    71    35.00000  109.50000
   62    70    72    35.00000  109.50000
   62    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   60    58    59    70.00000  120.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    48    43   0.44750  1.0 1.0
   29    33    48    43  -0.17800 -1.0 2.0
   29    33    48    43   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    50   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33    48    43   0.34400  1.0 1.0
   38    33    48    43   0.09450 -1.0 2.0
   38    33    48    43   0.11100  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    50   0.15000  1.0 3.0
   38    40   -42    43  -0.88150  1.0 1.0
   38    40   -42    43   2.95600 -1.0 2.0
   38    40    42    46  -0.18900  1.0 1.0
   38    40    42    46   1.70900 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.00000  1.0 1.0
   40    42    43    45   0.00000  1.0 1.0
   40    42    43    48  -0.05900 -1.0 2.0
   40    42    46    47   2.67200 -1.0 2.0
   40    42    46    51   2.45000 -1.0 2.0
   41    40    42    43   1.00000 -1.0 2.0
   41    40    42    46  -0.56400  1.0 1.0
   41    40    42    46   0.77500 -1.0 2.0
   41    40    42    46   0.18700  1.0 3.0
   42    43   -48    33   0.43900  1.0 1.0
   42    43   -48    33   0.49100 -1.0 2.0
   42    43   -48    33   0.28400  1.0 3.0
   42    43    48    49   0.15000  1.0 3.0
   42    43    48    50   0.15000  1.0 3.0
   42    46    51    52   0.65100 -1.0 2.0
   42    46    51    53   0.49500  1.0 1.0
   42    46    51    53   1.31600 -1.0 2.0
   42    46    51    53  -0.02300  1.0 3.0
   43    42    46    47   3.04450 -1.0 2.0
   43    42    46    51   1.49850  1.0 1.0
   43    42    46    51   1.53950 -1.0 2.0
   44    43    48    33   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   45    43    48    33   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   48    33    38    39   0.00000  1.0 1.0
   48    33   -38    40   0.09850  1.0 1.0
   48    33   -38    40   0.15250 -1.0 2.0
   48    33   -38    40  -0.50650  1.0 3.0
   46    42    43    44   0.00000  1.0 1.0
   46    42    43    45   0.00000  1.0 1.0
   46    42    43    48  -0.43950  1.0 1.0
   46    42    43    48  -0.08100 -1.0 2.0
   46    42    43    48   0.03350  1.0 3.0
   46    51    53    54   7.00000 -1.0 2.0
   46    51    53    55   7.00000 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53   1.00000 -1.0 2.0
   51    53    55    56   0.15800  1.0 1.0
   51    53    55    56   1.85350 -1.0 2.0
   51    53    55    56  -0.48700  1.0 3.0
   51    53    55    67   0.15800  1.0 1.0
   51    53    55    67   1.85350 -1.0 2.0
   51    53    55    67  -0.48700  1.0 3.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    55   7.00000 -1.0 2.0
   53    55    56    57   3.62500 -1.0 2.0
   53    55    56    58   3.62500 -1.0 2.0
   53    55    67    61   3.62500 -1.0 2.0
   53    55    67    68   3.62500 -1.0 2.0
   54    53    55    56   0.56550  1.0 3.0
   54    53    55    67   0.56550  1.0 3.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    60   3.62500 -1.0 2.0
   56    55    67    61   3.62500 -1.0 2.0
   56    55    67    68   3.62500 -1.0 2.0
   56    58   -59    61   3.62500 -1.0 2.0
   56    58    59    62   3.62500 -1.0 2.0
   56    58    60    63   1.63200 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    59    61    67   3.62500 -1.0 2.0
   58    59    61    69   3.62500 -1.0 2.0
   58    59    62    70   1.63200 -1.0 2.0
   58    60    63    64   0.08050  1.0 3.0
   58    60    63    65   0.08050  1.0 3.0
   58    60    63    66   0.08050  1.0 3.0
   59    58    60    63   1.63200 -1.0 2.0
   59    61   -67    55   3.62500 -1.0 2.0
   59    61    67    68   3.62500 -1.0 2.0
   59    61    69    74   1.63200 -1.0 2.0
   59    62    70    71   0.08050  1.0 3.0
   59    62    70    72   0.08050  1.0 3.0
   59    62    70    73   0.08050  1.0 3.0
   61    59    62    70   1.63200 -1.0 2.0
   61    69    74    75   0.08050  1.0 3.0
   61    69    74    76   0.08050  1.0 3.0
   61    69    74    77   0.08050  1.0 3.0
   67    55    56    57   3.62500 -1.0 2.0
   67    55   -56    58   3.62500 -1.0 2.0
   67    61    69    74   1.63200 -1.0 2.0
   69    61    67    55   3.62500 -1.0 2.0
   69    61    67    68   3.62500 -1.0 2.0
   62    59    61    67   3.62500 -1.0 2.0
   62    59    61    69   3.62500 -1.0 2.0
   60    58    59    61   3.62500 -1.0 2.0
   60    58    59    62   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    46    42    40   1.00000 -1.0 2.0
   42    51    46    47  10.50000 -1.0 2.0
   46    52    51    53  15.00000 -1.0 2.0
   55    54    53    51  15.00000 -1.0 2.0
   56    67    55    53   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   59    60    58    56   4.00000 -1.0 2.0
   61    62    59    58   4.00000 -1.0 2.0
   67    69    61    59   4.00000 -1.0 2.0
   61    68    67    55   1.10000 -1.0 2.0
END
