* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    196     386
    1     0 S   NP   _N1_     1    28.50762    97.89185   -20.83116
    2     1 S   H    _HN1     2     1.02797   101.32566  -132.06075
    3     1 S   H    _H1_     3     1.02889    70.69564   -26.63394
    4     1 S   H    _H2_     4     1.02910    41.61396   123.99694
    5     1 S   CT   _CA1     5     1.50307   143.22620    73.01907
    6     5 S   HC   _HA1     6     1.09675   104.82968    95.14906
    7     5 S   CO3  _C1_     7     1.54194   110.88589   -22.10951
    8     7 S   O2Z  _O11     8     1.26120   116.13682   -94.63681
    9     7 S   O2Z  _O12     9     1.26424   114.10007    83.32266
   10     5 S   CT   _CB1    10     1.53108   107.14441  -148.72607
   11    10 S   HC   HB11    11     1.09840   109.67848   -48.12035
   12    10 S   HC   HB12    12     1.09771   110.51966    68.48890
   13    10 S   CT   _CG1    13     1.53006   112.19280  -168.71294
   14    13 S   HC   HG11    14     1.09479   110.68533   -61.37909
   15    13 S   HC   HG12    15     1.09639   109.73276    57.76218
   16    13 S   C    _CD1    16     1.51753   112.17106   178.37659
   17    16 S   O    _OE1    17     1.22774   123.20450     9.28997
   18    16 S   N    _N2_    18     1.38555   111.91910  -171.29719
   19    18 S   H    _HN2    19     1.01556   119.15400     4.84832
   20    18 S   CT1  _CA2    20     1.45787   122.59262   178.90711
   21    20 S   HC   _HA2    21     1.09725   108.75547    27.77298
   22    20 S   C    _C2_    22     1.52935   107.06340   -89.43097
   23    22 S   O    _O2_    23     1.22978   123.03866   -27.16998
   24    20 S   CT   _CB2    32     1.53098   112.46949   150.88299
   25    24 S   HC   HB21    33     1.09448   110.23058    59.74858
   26    24 S   HC   HB22    34     1.09557   110.27341   177.15380
   27    22 S   N    _N3_    24     1.38477   112.54142   155.67793
   28    27 S   H    _HN3    25     1.01652   120.36521    -2.38162
   29    24 S   S    _SG2    35     1.82769   111.56044   -63.89010
   30    27 S   CT   _CA3    26     1.45357   122.51085   178.54923
   31    30 S   HC   HA31    27     1.09566   107.85441   -55.01413
   32    30 S   HC   HA32    28     1.09561   107.58042    61.33759
   33    29 S   CT   _C20    36     1.85024   100.06701   129.91373
   34    33 S   HC   _H3_    37     1.09360   104.78831    44.94495
   35    30 S   CO3  _C3_    29     1.52896   114.28449  -176.92763
   36    35 S   O2Z  _O31    30     1.26341   116.04080     0.48658
   37    35 S   O2Z  _O32    31     1.26432   114.41995  -179.57022
   38    33 S   CA   _C6_    38     1.52270   111.14989   -73.61705
   39    33 S   CM   _C13    61     1.51493   107.66562   161.62391
   40    39 S   HC   _H29    62     1.09273   114.49579    58.94367
   41    38 S   CA   _C4_    39     1.40676   119.32521   112.67701
   42    41 S   HA   _H25    40     1.08646   118.12703     0.96002
   43    39 S   CMA  _C14    63     1.35654   129.47350  -115.16716
   44    43 S   OM   _O19    64     1.26418   127.28819   172.29594
   45    41 S   CA   _C7_    41     1.39684   121.13236  -179.28318
   46    43 S   N    _N18    65     1.41153   120.15880    -7.03492
   47    45 S   CA   _C9_    42     1.40234   118.79335     0.75537
   48    45 S   OS   _O21    56     1.37096   125.07522  -179.39477
   49    46 S   C    _C12    66     1.40773   120.76267   -57.12270
   50    49 S   O    _O20    67     1.23087   125.97490    -5.45374
   51    47 S   CA   _C8_    43     1.40282   121.35967    -1.90752
   52    47 S   OS   _O23    51     1.37708   118.96864  -178.07736
   53    48 S   CT   _C17    57     1.42230   117.16677     1.70192
   54    53 S   HC   _H34    58     1.09427   107.73708   178.92790
   55    53 S   HC   _H35    59     1.09509   111.19657    61.17496
   56    53 S   HC   _H36    60     1.09500   111.09135   -63.39332
   57    49 S   CM   _C10    68     1.49034   116.26585   174.64185
   58    57 S   HC   _H27    69     1.08414   117.10457   175.05926
   59    38 S   CA   _C5_    44     1.40711   121.84643   -66.71676
   60    59 S   HA   _H26    45     1.08600   118.43081    -0.45928
   61    51 S   OS   _O22    46     1.37060   116.09661  -177.99523
   62    52 S   CT   _C19    52     1.42784   110.19034   -94.69524
   63    62 S   HC   _H40    53     1.09400   107.81940   176.06388
   64    62 S   HC   _H41    54     1.09562   111.49797    57.63508
   65    62 S   HC   _H42    55     1.09433   111.13152   -65.79677
   66    57 S   CM   _C11    70     1.33665   121.59906    -9.16463
   67    66 S   HC   _H28    71     1.08561   119.65462  -176.02655
   68    61 S   CT   _C18    47     1.42223   117.28055   178.33059
   69    68 S   HC   _H37    48     1.09421   107.75324  -179.51584
   70    68 S   HC   _H38    49     1.09475   111.19279    62.65615
   71    68 S   HC   _H39    50     1.09499   111.09608   -61.77561
   72    66 S   CT   _C15    72     1.49099   122.12636     4.14127
   73    72 S   HC   _H30    73     1.09544   109.96932   145.27940
   74    72 S   HC   _H31    74     1.09620   108.93143   -97.06677
   75    46 S   CT   _C16    75     1.47567   119.61663   134.91200
   76    75 S   HC   _H32    76     1.09808   107.47459    93.71502
   77    75 S   HC   _H33    77     1.09671   110.42756   -24.61397
  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   8   5   4   3
  13   6   2   1   1  12   8   3   9   4   9   3  11  11  12   6
   9   4   9   6   3   2   1   1   7   3   3   1   4   3   2   1
   1   7   4   3   2   1   1   5   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    59    60    39    40    43    44    46  
   38    41    59    39    40    43  
   36    37  
   37  
    0  
   41    42    45    47    51    59    60    61    48    39    40    43  
   40    43    44    46    49    75    41    59  
   43    44    46  
   42    45    47    51    59    60    52    48    53  
   45    47    59    48  
   44    46    49    50    57    72    75    76    77  
   46    49    75  
   47    51    59    61    52    62    48    53    54    55    56  
   49    50    57    58    66    72    73    74    75    76    77  
   51    59    60    61    68    52    62    63    64    65    48    53  
   53    54    55    56    51    52  
   50    57    58    66    67    72    75    76    77  
   57    58    66    75  
   59    60    61    68    69    70    71    52    62  
   62    63    64    65    59    61  
   54    55    56  
   55    56  
   56  
    0  
   58    66    67    72    73    74    75  
   66    67    72  
   60    61    68  
   61  
   68    69    70    71  
   63    64    65  
   64    65  
   65  
    0  
   67    72    73    74    75    76    77  
   72    73    74    75  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75    76    77  
   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.2500   0.1700  -0.592500   1.8100   1.6000   0.054801302  -1.445846770
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.3810   1.2100   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    39   317.000  1.510
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    48   450.000  1.364
   47    51   469.000  1.400
   47    52   450.000  1.364
   51    59   469.000  1.400
   51    61   450.000  1.364
   59    60   367.000  1.080
   61    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   52    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    46   400.000  1.384
   46    49   490.000  1.335
   46    75   337.000  1.449
   49    50   570.000  1.229
   49    57   410.000  1.444
   57    58   340.000  1.080
   57    66   549.000  1.340
   66    67   340.000  1.080
   66    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    59    51    63.00000  120.00000
   38    59    60    35.00000  120.00000
   41    45    47    63.00000  120.00000
   41    45    48    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    51    63.00000  120.00000
   45    47    52    70.00000  120.00000
   45    48    53    75.00000  111.00000
   47    51    59    63.00000  120.00000
   47    51    61    70.00000  120.00000
   47    52    62    75.00000  111.00000
   51    59    60    35.00000  120.00000
   51    61    68    75.00000  111.00000
   59    38    41    63.00000  120.00000
   61    51    59    70.00000  120.00000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   52    47    51    70.00000  120.00000
   52    62    63    35.00000  109.50000
   52    62    64    35.00000  109.50000
   52    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   48    45    47    70.00000  120.00000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   48    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    46    75.00000  120.83300
   43    39    40    40.00000  120.50800
   43    46    49    70.00000  120.89900
   43    46    75    70.00000  119.94800
   46    43    44   110.00000  107.01400
   46    49    50    80.00000  122.90000
   46    49    57    80.00000  111.56200
   46    75    72    70.00000  110.72300
   46    75    76    35.00000  109.50000
   46    75    77    35.00000  109.50000
   49    57    58    35.00000  119.70000
   49    57    66    70.00000  118.70000
   57    49    50    80.00000  125.30000
   57    66    67    35.00000  120.00000
   57    66    72    70.00000  124.00000
   66    57    58    35.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    70.00000  112.02700
   72    66    67    35.00000  117.00000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    46    49    50.00000  121.90000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   77    75    76    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    59    51   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    46   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    47   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    59    51   3.62500 -1.0 2.0
   41    38    59    60   3.62500 -1.0 2.0
   41    45   -47    51   3.62500 -1.0 2.0
   41    45    47    52   3.62500 -1.0 2.0
   41    45    48    53   1.63200 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    47    51    59   3.62500 -1.0 2.0
   45    47    51    61   3.62500 -1.0 2.0
   45    47    52    62   1.63200 -1.0 2.0
   45    48    53    54   0.08050  1.0 3.0
   45    48    53    55   0.08050  1.0 3.0
   45    48    53    56   0.08050  1.0 3.0
   47    45    48    53   1.63200 -1.0 2.0
   47    51   -59    38   3.62500 -1.0 2.0
   47    51    59    60   3.62500 -1.0 2.0
   47    51    61    68   1.63200 -1.0 2.0
   47    52    62    63   0.08050  1.0 3.0
   47    52    62    64   0.08050  1.0 3.0
   47    52    62    65   0.08050  1.0 3.0
   51    47    52    62   1.63200 -1.0 2.0
   51    61    68    69   0.08050  1.0 3.0
   51    61    68    70   0.08050  1.0 3.0
   51    61    68    71   0.08050  1.0 3.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   59    51    61    68   1.63200 -1.0 2.0
   61    51    59    38   3.62500 -1.0 2.0
   61    51    59    60   3.62500 -1.0 2.0
   52    47    51    59   3.62500 -1.0 2.0
   52    47    51    61   3.62500 -1.0 2.0
   48    45    47    51   3.62500 -1.0 2.0
   48    45    47    52   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   0.18050 -1.0 2.0
   39    43    46    49  -0.18900  1.0 1.0
   39    43    46    49   1.70900 -1.0 2.0
   39    43    46    75  -0.88150  1.0 1.0
   39    43    46    75   2.95600 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46    49    50   2.67200 -1.0 2.0
   43    46    49    57   2.45000 -1.0 2.0
   43    46    75    72  -0.05900 -1.0 2.0
   43    46    75    76   0.00000  1.0 1.0
   43    46    75    77   0.00000  1.0 1.0
   44    43    46    49  -0.56400  1.0 1.0
   44    43    46    49   0.77500 -1.0 2.0
   44    43    46    49   0.18700  1.0 3.0
   44    43    46    75   1.00000 -1.0 2.0
   46    49    57    58   0.65100 -1.0 2.0
   46    49    57    66   0.49500  1.0 1.0
   46    49    57    66   1.31600 -1.0 2.0
   46    49    57    66  -0.02300  1.0 3.0
   49    46    75    72  -0.43950  1.0 1.0
   49    46    75    72  -0.08100 -1.0 2.0
   49    46    75    72   0.03350  1.0 3.0
   49    46    75    76   0.00000  1.0 1.0
   49    46    75    77   0.00000  1.0 1.0
   49    57    66    67   7.00000 -1.0 2.0
   49    57   -66    72   7.00000 -1.0 2.0
   50    49    57    58   0.00000  1.0 1.0
   50    49    57    66   1.00000 -1.0 2.0
   57    66    72    73   0.00000  1.0 1.0
   57    66    72    74   0.00000  1.0 1.0
   57    66    72    75   0.09850  1.0 1.0
   57    66    72    75   0.15250 -1.0 2.0
   57    66    72    75  -0.50650  1.0 3.0
   58    57    66    67   7.00000 -1.0 2.0
   58    57    66    72   7.00000 -1.0 2.0
   66    72   -75    46   0.21700  1.0 1.0
   66    72   -75    46   0.68550 -1.0 2.0
   66    72   -75    46  -0.27950  1.0 3.0
   66    72    75    76   0.15000  1.0 3.0
   66    72    75    77   0.15000  1.0 3.0
   67    66    72    73   0.33100  1.0 3.0
   67    66    72    74   0.33100  1.0 3.0
   67    66    72    75   0.00000  1.0 1.0
   73    72    75    46   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   74    72    75    46   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   75    46    49    50   3.04450 -1.0 2.0
   75    46   -49    57   1.49850  1.0 1.0
   75    46   -49    57   1.53950 -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
   41    59    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    48    45    41   4.00000 -1.0 2.0
   51    52    47    45   4.00000 -1.0 2.0
   59    61    51    47   4.00000 -1.0 2.0
   51    60    59    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   46    44    43    39  15.00000 -1.0 2.0
   75    49    46    43   1.00000 -1.0 2.0
   46    57    49    50  10.50000 -1.0 2.0
   49    58    57    66   1.10000 -1.0 2.0
   72    67    66    57   1.10000 -1.0 2.0
END
