* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    207     397
    1     0 S   NP   _N1_     1    28.07936    96.33323   -22.93676
    2     1 S   H    _HN1     2     1.02957    77.79824    -5.64618
    3     1 S   H    _H1_     3     1.02835    33.32654   145.41049
    4     1 S   H    _H2_     4     1.02777   103.12472  -111.90905
    5     1 S   CT   _CA1     5     1.50134   137.82375   101.34924
    6     5 S   HC   _HA1     6     1.09576   105.20685    83.30807
    7     5 S   CO3  _C1_     7     1.53780   112.33771   -36.85980
    8     7 S   O2Z  _O11     8     1.26365   114.99649   -44.39194
    9     7 S   O2Z  _O12     9     1.26234   114.92798   134.64662
   10     5 S   CT   _CB1    10     1.53091   107.41328  -158.81073
   11    10 S   HC   HB11    11     1.09828   109.30745   -50.56291
   12    10 S   HC   HB12    12     1.09815   110.44267    65.98466
   13    10 S   CT   _CG1    13     1.53023   112.68090  -171.63013
   14    13 S   HC   HG11    14     1.09594   110.49750   -64.78804
   15    13 S   HC   HG12    15     1.09658   109.90919    54.41224
   16    13 S   C    _CD1    16     1.51848   112.29224   174.76247
   17    16 S   O    _OE1    17     1.22756   123.26430     0.97799
   18    16 S   N    _N2_    18     1.38526   111.72224  -178.94984
   19    18 S   H    _HN2    19     1.01553   119.15591     3.83584
   20    18 S   CT1  _CA2    20     1.45902   122.91356   178.03656
   21    20 S   HC   _HA2    21     1.09716   108.89701    25.80228
   22    20 S   C    _C2_    22     1.52901   106.66379   -91.45419
   23    22 S   O    _O2_    23     1.23023   122.90120   -30.75557
   24    20 S   CT   _CB2    32     1.53216   112.24684   149.10184
   25    24 S   HC   HB21    33     1.09463   109.60800    54.70953
   26    24 S   HC   HB22    34     1.09412   109.65204   173.64800
   27    22 S   N    _N3_    24     1.38494   112.76053   151.69829
   28    27 S   H    _HN3    25     1.01670   120.33193    -0.26244
   29    24 S   S    _SG2    35     1.82710   110.80868   -65.85459
   30    27 S   CT   _CA3    26     1.45361   122.34012   178.71732
   31    30 S   HC   HA31    27     1.09565   107.33399   -66.79881
   32    30 S   HC   HA32    28     1.09575   108.06214    49.48477
   33    29 S   CT   _C14    36     1.85466   101.64535   178.76504
   34    33 S   OM   _O36    37     1.32012   108.00938  -179.78878
   35    30 S   CO3  _C3_    29     1.52867   114.57126   171.65188
   36    35 S   O2Z  _O31    30     1.26300   116.18362    -0.26244
   37    35 S   O2Z  _O32    31     1.26478   114.35413   179.86012
   38    33 S   CM   _C13    38     1.50646   108.37175   -65.16488
   39    38 S   HC   _H8_    39     1.08965   118.80961   -57.02265
   40    38 S   CM   _C12    40     1.34056   123.41250   122.92688
   41    40 S   HC   _H7_    41     1.08827   118.07161  -179.93439
   42    40 S   CT   _C11    42     1.53380   124.74409    -0.58784
   43    42 S   CA   _C9_    43     1.57639   107.18668   125.76374
   44    42 S   CMA  _C16    65     1.58910   113.10434     2.22713
   45    44 S   OM   _O34    66     1.27018   111.47046   178.18264
   46    42 S   CT   _C19    74     1.56034   102.44184  -111.46224
   47    46 S   HC   _H12    75     1.09688   111.42396    65.87989
   48    46 S   HC   _H13    76     1.09727   112.22601   -52.88138
   49    46 S   HC   _H14    77     1.09631   112.58149  -175.05522
   50    43 S   CA   _C8_    44     1.41990   119.50989   -66.87563
   51    33 S   CM   _C15    67     1.52329   111.41164    60.02652
   52    50 S   CA   _C7_    45     1.40592   122.07228   179.10913
   53    50 S   OH   _O37    63     1.37286   118.44018     1.12170
   54    53 S   HO   _H15    64     0.97190   110.12608  -162.05414
   55    51 S   CO4  _C17    68     1.50529   118.18817    59.02816
   56    55 S   O    _O35    69     1.23049   121.00266   -88.07181
   57    52 S   CA   _C6_    46     1.39676   119.90679     2.51762
   58    52 S   CO4  _C20    57     1.48523   119.61102  -177.27710
   59    58 S   O    _O38    58     1.22827   119.32309   -49.46732
   60    55 S   CT   _C18    70     1.50736   117.40857    90.96961
   61    60 S   HC   _H9_    71     1.09343   109.04736   128.54974
   62    60 S   HC   _H10    72     1.09350   111.34335     9.35793
   63    60 S   HC   _H11    73     1.09290   109.30337  -111.15846
   64    57 S   CA   _C5_    47     1.40273   120.51060    -0.56023
   65    57 S   OH   _O39    55     1.37084   118.03850   178.26404
   66    65 S   HO   _H19    56     0.97019   110.03363   162.81547
   67    58 S   CT   _C21    59     1.50614   118.73544   128.87311
   68    67 S   HC   _H16    60     1.09266   109.65623   105.18885
   69    67 S   HC   _H17    61     1.09340   111.43257   -16.61640
   70    67 S   HC   _H18    62     1.09403   108.79637  -134.91196
   71    43 S   CA   _C10    48     1.41681   124.43223   112.62048
   72    64 S   CT   _C4_    51     1.50914   120.61061   177.19111
   73    72 S   HC   _H3_    52     1.09398   110.05596    87.13661
   74    72 S   HC   _H4_    53     1.09482   111.78703  -151.35467
   75    72 S   HC   _H5_    54     1.09486   111.48270   -34.33538
   76    71 S   OH   _O33    49     1.37132   119.18828    -3.46769
   77    76 S   HO   _H6_    50     0.97021   109.84514  -152.55611
  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
  12   6   2   1   1   9   4  12   4  15  18  11   3   6   2   1
   1  11   6  14   4   1   5   4  12   7   4   3   2   1   1   9
   3   1   3   2   1   1   6   4   2   1   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    51    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    55    56    60  
   38    39    40    44    51    55  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    55    46  
   40    41    42    51  
   41    42    43    50    71    44    45    51    46    47    48    49  
   42    43    44    46  
   43    50    52    64    71    76    53    44    45    51    55    46    47    48    49  
   50    52    57    64    71    76    77    72    58    53    54    44    45    51    46    47    48    49  
   45    51    55    56    60    46    47    48    49    50    71  
   51    55    46  
   47    48    49    50    51    71  
   48    49  
   49  
    0  
   52    57    64    71    76    65    58    59    67    53    54  
   55    56    60    61    62    63  
   57    64    71    72    65    66    58    59    67    68    69    70    53    54  
   54    57    58    71  
    0  
   56    60    61    62    63  
   60    61    62    63  
   64    71    76    72    73    74    75    65    66    58    59    67  
   59    67    68    69    70    64    65  
   67    68    69    70  
   61    62    63  
   62    63  
   63  
    0  
   71    76    77    72    73    74    75    65    66  
   66    71    72  
    0  
   68    69    70  
   69    70  
   70  
    0  
   76    77    72    73    74    75  
   73    74    75    76  
   74    75  
   75  
    0  
   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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.470000   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    51   317.000  1.510
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   317.000  1.510
   42    44   270.000  1.512
   42    46   268.000  1.529
   43    50   469.000  1.400
   43    71   469.000  1.400
   50    52   469.000  1.400
   50    53   450.000  1.364
   52    57   469.000  1.400
   52    58   310.000  1.470
   57    64   469.000  1.400
   57    65   450.000  1.364
   64    71   469.000  1.400
   64    72   317.000  1.510
   71    76   450.000  1.364
   76    77   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   65    66   553.000  0.945
   58    59   570.000  1.229
   58    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   53    54   553.000  0.945
   44    45   745.000  1.250
   44    51   465.000  1.376
   51    55   320.000  1.462
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    51    44    70.00000  124.00000
   33    51    55    65.00000  116.34900
   38    33    34    85.00000  110.90400
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    42    43    70.00000  112.99600
   40    42    44    70.00000  110.12100
   40    42    46    70.00000  112.02700
   42    40    41    35.00000  117.00000
   42    43    50    70.00000  120.00000
   42    43    71    70.00000  120.00000
   42    44    45    85.00000  112.85300
   42    44    51    65.00000  122.18000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   43    50    52    63.00000  120.00000
   43    50    53    70.00000  120.00000
   43    71    64    63.00000  120.00000
   43    71    76    70.00000  120.00000
   50    52    57    63.00000  120.00000
   50    52    58    60.00000  119.52600
   50    53    54    35.00000  113.00000
   52    57    64    63.00000  120.00000
   52    57    65    70.00000  120.00000
   52    58    59    75.00000  123.78400
   52    58    67    65.00000  115.47100
   57    64    71    63.00000  120.00000
   57    64    72    70.00000  120.00000
   57    65    66    35.00000  113.00000
   64    71    76    70.00000  120.00000
   64    72    73    35.00000  109.50000
   64    72    74    35.00000  109.50000
   64    72    75    35.00000  109.50000
   71    43    50    63.00000  120.00000
   71    76    77    35.00000  113.00000
   72    64    71    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   65    57    64    70.00000  120.00000
   58    52    57    60.00000  119.52600
   58    67    68    35.00000  109.50000
   58    67    69    35.00000  109.50000
   58    67    70    35.00000  109.50000
   67    58    59    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   53    50    52    70.00000  120.00000
   44    42    43    70.00000  112.99600
   44    51    55    60.00000  125.92000
   51    33    34    85.00000  110.90400
   51    33    38    70.00000  110.12100
   51    44    45    65.00000  137.10300
   51    55    56    80.00000  123.72100
   51    55    60    65.00000  118.62400
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   60    55    56    80.00000  120.40000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   46    42    43    70.00000  112.17500
   46    42    44    70.00000  112.02700
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  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    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   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    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    51    44   0.42700  1.0 1.0
   29    33    51    44  -0.70350 -1.0 2.0
   29    33    51    44  -0.43150  1.0 3.0
   29    33    51    55   0.09700  1.0 1.0
   29    33    51    55   0.15600 -1.0 2.0
   29    33    51    55  -0.50800  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    51    55    56  -0.64400  1.0 1.0
   33    51    55    56   0.26850 -1.0 2.0
   33    51    55    60   0.25700  1.0 1.0
   33    51    55    60   0.66200 -1.0 2.0
   33    51    55    60   0.04450  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    51    44   0.39000  1.0 1.0
   34    33    51    44  -0.05800 -1.0 2.0
   34    33    51    44  -0.55150  1.0 3.0
   34    33    51    55   0.09700  1.0 1.0
   34    33    51    55   0.15600 -1.0 2.0
   34    33    51    55  -0.50800  1.0 3.0
   38    33    51    44  -0.28300  1.0 1.0
   38    33    51    44   0.26700 -1.0 2.0
   38    33    51    44  -0.63300  1.0 3.0
   38    33    51    55   0.09700  1.0 1.0
   38    33    51    55   0.15600 -1.0 2.0
   38    33    51    55  -0.50800  1.0 3.0
   38    40    42    43   1.44450  1.0 1.0
   38    40    42    43   0.06600 -1.0 2.0
   38    40    42    43   0.29250  1.0 3.0
   38    40   -42    44  -0.28300  1.0 1.0
   38    40   -42    44   0.26700 -1.0 2.0
   38    40   -42    44  -0.63300  1.0 3.0
   38    40    42    46   0.09850  1.0 1.0
   38    40    42    46   0.15250 -1.0 2.0
   38    40    42    46  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    50   0.18050 -1.0 2.0
   40    42    43    71   0.18050 -1.0 2.0
   40    42    44    45   0.09700  1.0 1.0
   40    42    44    45   0.15600 -1.0 2.0
   40    42    44    45  -0.50800  1.0 3.0
   40    42    44    51  -0.28300  1.0 1.0
   40    42    44    51   0.26700 -1.0 2.0
   40    42    44    51  -0.63300  1.0 3.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    46    48   0.15000  1.0 3.0
   40    42    46    49   0.15000  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   42    43    50    52   3.62500 -1.0 2.0
   42    43    50    53   3.62500 -1.0 2.0
   42    43    71    64   3.62500 -1.0 2.0
   42    43    71    76   3.62500 -1.0 2.0
   42    44   -51    33   7.00000 -1.0 2.0
   42    44    51    55   7.00000 -1.0 2.0
   43    42    44    45   0.09700  1.0 1.0
   43    42    44    45   0.15600 -1.0 2.0
   43    42    44    45  -0.50800  1.0 3.0
   43    42    44    51   1.44450  1.0 1.0
   43    42    44    51   0.06600 -1.0 2.0
   43    42    44    51   0.29250  1.0 3.0
   43    42    46    47   0.43200  1.0 3.0
   43    42    46    48   0.43200  1.0 3.0
   43    42    46    49   0.43200  1.0 3.0
   43    50    52    57   3.62500 -1.0 2.0
   43    50    52    58   3.62500 -1.0 2.0
   43    50    53    54   0.84100 -1.0 2.0
   43    71    76    77   0.84100 -1.0 2.0
   50    43    71    64   3.62500 -1.0 2.0
   50    43    71    76   3.62500 -1.0 2.0
   50    52   -57    64   3.62500 -1.0 2.0
   50    52    57    65   3.62500 -1.0 2.0
   50    52    58    59   1.05000 -1.0 2.0
   50    52    58    67   2.26350  1.0 1.0
   50    52    58    67   0.76750 -1.0 2.0
   50    52    58    67   0.22500  1.0 3.0
   52    50    53    54   0.84100 -1.0 2.0
   52    57    64    71   3.62500 -1.0 2.0
   52    57    64    72   3.62500 -1.0 2.0
   52    57    65    66   0.84100 -1.0 2.0
   52    58    67    68   0.00000  1.0 1.0
   52    58    67    69   0.00000  1.0 1.0
   52    58    67    70   0.00000  1.0 1.0
   57    52    58    59   1.05000 -1.0 2.0
   57    52    58    67   2.26350  1.0 1.0
   57    52    58    67   0.76750 -1.0 2.0
   57    52    58    67   0.22500  1.0 3.0
   57    64   -71    43   3.62500 -1.0 2.0
   57    64    71    76   3.62500 -1.0 2.0
   57    64    72    73   0.00000  1.0 1.0
   57    64    72    74   0.00000  1.0 1.0
   57    64    72    75   0.00000  1.0 1.0
   64    57    65    66   0.84100 -1.0 2.0
   64    71    76    77   0.84100 -1.0 2.0
   71    43   -50    52   3.62500 -1.0 2.0
   71    43    50    53   3.62500 -1.0 2.0
   71    64    72    73   0.00000  1.0 1.0
   71    64    72    74   0.00000  1.0 1.0
   71    64    72    75   0.00000  1.0 1.0
   72    64    71    43   3.62500 -1.0 2.0
   72    64    71    76   3.62500 -1.0 2.0
   65    57    64    71   3.62500 -1.0 2.0
   65    57    64    72   3.62500 -1.0 2.0
   58    52    57    64   3.62500 -1.0 2.0
   58    52    57    65   3.62500 -1.0 2.0
   59    58    67    68   0.00000  1.0 1.0
   59    58    67    69   0.00000  1.0 1.0
   59    58    67    70   0.00000  1.0 1.0
   53    50    52    57   3.62500 -1.0 2.0
   53    50    52    58   3.62500 -1.0 2.0
   44    42    43    50   0.18050 -1.0 2.0
   44    42    43    71   0.18050 -1.0 2.0
   44    42    46    47   0.15000  1.0 3.0
   44    42    46    48   0.15000  1.0 3.0
   44    42    46    49   0.15000  1.0 3.0
   44    51    55    56   1.00000 -1.0 2.0
   44    51    55    60  -0.33500  1.0 1.0
   44    51    55    60   1.06600 -1.0 2.0
   44    51    55    60  -0.14000  1.0 3.0
   45    44    51    33   7.00000 -1.0 2.0
   45    44    51    55   7.00000 -1.0 2.0
   51    33    38    39   0.00000  1.0 1.0
   51    33   -38    40  -0.28300  1.0 1.0
   51    33   -38    40   0.26700 -1.0 2.0
   51    33   -38    40  -0.63300  1.0 3.0
   51    55    60    61   0.00000  1.0 1.0
   51    55    60    62   0.00000  1.0 1.0
   51    55    60    63   0.00000  1.0 1.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    63   0.00000  1.0 1.0
   46    42    43    50   0.04150 -1.0 2.0
   46    42    43    71   0.04150 -1.0 2.0
   46    42    44    45   0.09700  1.0 1.0
   46    42    44    45   0.15600 -1.0 2.0
   46    42    44    45  -0.50800  1.0 3.0
   46    42    44    51   0.09850  1.0 1.0
   46    42    44    51   0.15250 -1.0 2.0
   46    42    44    51  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   50    71    43    42   4.00000 -1.0 2.0
   52    53    50    43   4.00000 -1.0 2.0
   57    58    52    50   4.00000 -1.0 2.0
   64    65    57    52   4.00000 -1.0 2.0
   71    72    64    57   4.00000 -1.0 2.0
   64    76    71    43   4.00000 -1.0 2.0
   52    67    58    59  10.50000 -1.0 2.0
   42    45    44    51   1.10000 -1.0 2.0
   33    55    51    44   1.10000 -1.0 2.0
   51    60    55    56  10.50000 -1.0 2.0
END
