* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    237     439
    1     0 S   NP   _N1_     1    29.13978    93.18761   -25.00315
    2     1 S   H    _HN1     2     1.02951    93.00049     9.08078
    3     1 S   H    _H1_     3     1.02829    14.15575  -176.49871
    4     1 S   H    _H2_     4     1.02785   112.31840  -102.16617
    5     1 S   CT   _CA1     5     1.50114   118.59290   124.30719
    6     5 S   HC   _HA1     6     1.09573   105.20514    72.23423
    7     5 S   CO3  _C1_     7     1.53788   112.41322   -48.01390
    8     7 S   O2Z  _O11     8     1.26373   115.00515   -43.51461
    9     7 S   O2Z  _O12     9     1.26236   114.93657   135.58627
   10     5 S   CT   _CB1    10     1.53075   107.41889  -169.79398
   11    10 S   HC   HB11    11     1.09833   109.38343   -49.78633
   12    10 S   HC   HB12    12     1.09814   110.44318    66.81546
   13    10 S   CT   _CG1    13     1.52994   112.60963  -170.76779
   14    13 S   HC   HG11    14     1.09585   110.61565   -65.12760
   15    13 S   HC   HG12    15     1.09667   109.81650    54.11520
   16    13 S   C    _CD1    16     1.51799   112.20696   174.56412
   17    16 S   O    _OE1    17     1.22737   123.27891     5.98461
   18    16 S   N    _N2_    18     1.38655   111.68665  -174.14261
   19    18 S   H    _HN2    19     1.01584   118.97582     1.68470
   20    18 S   CT1  _CA2    20     1.46198   123.34763   177.96231
   21    20 S   HC   _HA2    21     1.09744   109.33617     1.58868
   22    20 S   C    _C2_    22     1.53555   108.68664  -113.86221
   23    22 S   O    _O2_    23     1.23061   122.25719  -148.63021
   24    20 S   CT   _CB2    32     1.53550   111.68476   123.51982
   25    24 S   HC   HB21    33     1.09494   109.45367    56.68977
   26    24 S   HC   HB22    34     1.09268   109.53921   175.45352
   27    22 S   N    _N3_    24     1.38323   113.71736    38.86232
   28    27 S   H    _HN3    25     1.01591   119.57405    -3.46933
   29    24 S   S    _SG2    35     1.83046   110.99614   -63.85340
   30    27 S   CT   _CA3    26     1.45288   123.20380   177.06195
   31    30 S   HC   HA31    27     1.09550   107.51826   -64.30230
   32    30 S   HC   HA32    28     1.09557   107.97195    52.13008
   33    29 S   CT   _C11    36     1.86570   103.09526  -172.48916
   34    30 S   CO3  _C3_    29     1.52958   114.08928   174.11937
   35    34 S   O2Z  _O31    30     1.26376   116.06343    -0.68728
   36    34 S   O2Z  _O32    31     1.26429   114.41329   179.37442
   37    33 S   CT   _C10    37     1.58256   110.75695  -169.11968
   38    37 S   HC   _H5_    38     1.10247   103.51439   171.17986
   39    33 S   CT   _C12    62     1.56123   110.71753    69.42181
   40    39 S   HC   _H6_    63     1.09448   110.50144   -48.81441
   41    33 S   CT   _C15    72     1.55030   107.53806   -48.83020
   42    41 S   HC   _H19    73     1.09657   111.50801    77.52750
   43    41 S   HC   _H20    74     1.09427   113.05289   -43.03228
   44    41 S   HC   _H21    75     1.09632   111.30013  -163.86498
   45    37 S   CT   _C9_    39     1.54794   116.86839    56.17921
   46    45 S   HC   _H4_    40     1.09767   109.63356   -71.11841
   47    39 S   OH   _O34    64     1.43464   109.22949  -163.82667
   48    47 S   HO   _H18    65     0.97219   107.73144   176.32092
   49    45 S   CT   _C8_    41     1.52048   109.84689   165.88852
   50    49 S   HC   _H3_    42     1.10107   109.83366   -55.98355
   51    49 S   CM   _C17    43     1.48283    98.33841  -166.61609
   52    49 S   CT   _C7_    50     1.51735   111.39761    64.01648
   53    52 S   HC   _H13    51     1.09638   110.22195  -179.02844
   54    52 S   HC   _H14    52     1.09569   111.25220    62.91177
   55    51 S   CO4  _C16    44     1.48677   105.90151    33.15631
   56    55 S   O    _O36    45     1.21680   127.23824   164.99829
   57    51 S   CM   _C18    47     1.33364   130.79213  -145.12692
   58    57 S   HC   _H22    48     1.08454   121.03716    -1.09343
   59    57 S   HC   _H23    49     1.08514   121.45610   178.96713
   60    52 S   CT   _C6_    53     1.53752   108.63088   -59.31503
   61    60 S   HC   _H11    54     1.09730   109.12626   178.91736
   62    60 S   HC   _H12    55     1.09755   107.47094   -66.57577
   63    45 S   OS   _O35    46     1.43117   116.68624    49.43788
   64    37 S   CT   _C5_    56     1.59251   115.86219   -74.08282
   65    64 S   CT   _C14    57     1.55370   109.59483   -51.12918
   66    65 S   HC   _H7_    58     1.09709   109.59078   174.07282
   67    64 S   CT   _C4_    68     1.55292   114.71256    70.07131
   68    67 S   HC   _H8_    69     1.09042   113.37541   -70.70856
   69    67 S   HC   _H9_    70     1.09745   110.25794   171.26302
   70    67 S   HC   _H10    71     1.09248   113.08664    52.07820
   71    65 S   CT   _C13    59     1.53458   112.50058    52.72544
   72    71 S   HC   _H15    60     1.09443   110.38972    68.22597
   73    71 S   HC   _H16    61     1.09782   108.24097  -175.50569
   74    65 S   OH   _O33    66     1.42806   110.17345   -69.37030
   75    74 S   HO   _H17    67     0.97209   107.74378  -178.06751
  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  13   5   4   3
  21   2   1   1  28  10  15   7   7   2   1   1  15   7   5   1
  15   8  10  11   5   4   5   2   3   1   1  11   4   3   1  11
  10   6   5   2   1   1   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    64    71    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    49    63    60    64    65    71    72    73    39    40    47    48    67    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    49    50    51    55    63    52    60    61    62    64    65    66    71    39    40    47    74    67    68    69    70    41    42    43    44  
   45    46    49    63    60    64    65    39    67    41  
   40    47    48    74    41    42    43    44    45    64    65    66    71    72    73  
   47    48    41    65    71    72    73  
   42    43    44    45    47    64    71  
   43    44  
   44  
    0  
   46    49    50    51    55    56    63    57    52    53    54    60    64    65    67  
   49    50    51    55    63    52    64  
   48    65    71    72    73  
   71  
   50    51    55    56    63    57    58    59    52    53    54    60    61    62    64  
   51    55    63    57    52    53    54    60  
   55    56    63    57    58    59    52    53    54    60  
   53    54    60    61    62    64    65    67    55    57    63  
   54    60    61    62    64  
   60    61    62    64  
   56    63    57    58    59  
   63    57  
   58    59    63  
   59  
    0  
   61    62    64    65    66    71    74    67    68    69    70  
   62    64    65    67  
   64    65    67  
   64  
   65    66    71    72    73    74    75    67    68    69    70  
   66    71    72    73    74    75    67    68    69    70  
   71    72    73    74    75    67  
   68    69    70    71    74  
   69    70  
   70  
    0  
   72    73    74    75  
   73    74  
   74  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    39   268.000  1.529
   33    41   268.000  1.529
   37    38   340.000  1.090
   37    45   268.000  1.529
   37    64   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    63   320.000  1.410
   49    50   340.000  1.090
   49    51   317.000  1.510
   49    52   268.000  1.529
   51    55   320.000  1.462
   51    57   549.000  1.340
   55    56   570.000  1.229
   55    63   214.000  1.327
   57    58   340.000  1.080
   57    59   340.000  1.080
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   268.000  1.529
   64    65   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   268.000  1.529
   39    40   340.000  1.090
   39    47   320.000  1.410
   47    48   553.000  0.945
   74    75   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    37    64    58.35000  112.70000
   33    39    71    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    47    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    37.50000  110.70000
   37    45    49    58.35000  112.70000
   37    45    63    50.00000  109.50000
   37    64    60    58.35000  112.70000
   37    64    65    58.35000  112.70000
   37    64    67    58.35000  112.70000
   45    37    38    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    70.00000  112.02700
   45    49    52    58.35000  112.70000
   45    63    55    83.00000  116.90000
   49    45    46    37.50000  110.70000
   49    51    55    65.00000  116.34900
   49    51    57    70.00000  124.00000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    60    58.35000  112.70000
   51    49    50    35.00000  109.50000
   51    55    56    80.00000  123.72100
   51    55    63    90.00000  111.29400
   51    57    58    35.00000  120.00000
   51    57    59    35.00000  120.00000
   63    45    46    35.00000  109.50000
   63    45    49    50.00000  109.50000
   63    55    56    83.00000  123.40000
   57    51    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   52    49    50    37.50000  110.70000
   52    49    51    70.00000  112.02700
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    64    58.35000  112.70000
   54    52    53    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    54    37.50000  110.70000
   60    64    65    58.35000  112.70000
   60    64    67    58.35000  112.70000
   62    60    61    33.00000  107.80000
   64    37    38    37.50000  110.70000
   64    37    45    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    60    62    37.50000  110.70000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    74    50.00000  109.50000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    39    58.35000  112.70000
   65    74    75    55.00000  108.50000
   71    65    66    37.50000  110.70000
   71    39    40    37.50000  110.70000
   71    39    47    50.00000  109.50000
   73    71    72    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    71    72    37.50000  110.70000
   39    71    73    37.50000  110.70000
   39    47    48    55.00000  108.50000
   47    39    40    35.00000  109.50000
   74    65    66    35.00000  109.50000
   74    65    71    50.00000  109.50000
   67    64    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    33    39    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    37    38   0.15000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    37    64   0.44750  1.0 1.0
   29    33    37    64  -0.17800 -1.0 2.0
   29    33    37    64   0.20200  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    47   0.56750  1.0 1.0
   29    33    39    47  -0.07550 -1.0 2.0
   29    33    39    47   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    49   0.56750  1.0 1.0
   33    37    45    49  -0.07550 -1.0 2.0
   33    37    45    49   0.20000  1.0 3.0
   33    37    45    63   0.62750  1.0 1.0
   33    37    45    63  -0.30950 -1.0 2.0
   33    37    45    63   0.27300  1.0 3.0
   33    37    64    60   0.56750  1.0 1.0
   33    37    64    60  -0.07550 -1.0 2.0
   33    37    64    60   0.20000  1.0 3.0
   33    37    64    65   0.56750  1.0 1.0
   33    37    64    65  -0.07550 -1.0 2.0
   33    37    64    65   0.20000  1.0 3.0
   33    37    64    67   0.56750  1.0 1.0
   33    37    64    67  -0.07550 -1.0 2.0
   33    37    64    67   0.20000  1.0 3.0
   33    39    47    48  -0.11600  1.0 1.0
   33    39    47    48  -0.09450 -1.0 2.0
   33    39    47    48   0.21250  1.0 3.0
   37    33    39    71   0.56750  1.0 1.0
   37    33    39    71  -0.07550 -1.0 2.0
   37    33    39    71   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    47   0.86500  1.0 1.0
   37    33    39    47  -0.17500 -1.0 2.0
   37    33    39    47   0.20800  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    49    50   0.15000  1.0 3.0
   37    45    49    51   0.34400  1.0 1.0
   37    45    49    51   0.09450 -1.0 2.0
   37    45    49    51   0.11100  1.0 3.0
   37    45    49    52   0.56750  1.0 1.0
   37    45    49    52  -0.07550 -1.0 2.0
   37    45    49    52   0.20000  1.0 3.0
   37    45    63    55  -0.25900  1.0 1.0
   37    45    63    55  -0.47000 -1.0 2.0
   37    45    63    55   0.11750  1.0 3.0
   37    64    65    66   0.15000  1.0 3.0
   37    64   -65    71   0.56750  1.0 1.0
   37    64   -65    71  -0.07550 -1.0 2.0
   37    64   -65    71   0.20000  1.0 3.0
   37    64    65    74   0.86500  1.0 1.0
   37    64    65    74  -0.17500 -1.0 2.0
   37    64    65    74   0.20800  1.0 3.0
   37    64    67    68   0.15000  1.0 3.0
   37    64    67    69   0.15000  1.0 3.0
   37    64    67    70   0.15000  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    49   0.15000  1.0 3.0
   38    37    45    63   0.23400  1.0 3.0
   38    37    64    60   0.15000  1.0 3.0
   38    37    64    65   0.15000  1.0 3.0
   38    37    64    67   0.15000  1.0 3.0
   45    37    64    60   0.56750  1.0 1.0
   45    37    64    60  -0.07550 -1.0 2.0
   45    37    64    60   0.20000  1.0 3.0
   45    37    64    65   0.56750  1.0 1.0
   45    37    64    65  -0.07550 -1.0 2.0
   45    37    64    65   0.20000  1.0 3.0
   45    37    64    67   0.56750  1.0 1.0
   45    37    64    67  -0.07550 -1.0 2.0
   45    37    64    67   0.20000  1.0 3.0
   45    49   -51    55   0.09700  1.0 1.0
   45    49   -51    55   0.15600 -1.0 2.0
   45    49   -51    55  -0.50800  1.0 3.0
   45    49    51    57   0.09850  1.0 1.0
   45    49    51    57   0.15250 -1.0 2.0
   45    49    51    57  -0.50650  1.0 3.0
   45    49    52    53   0.15000  1.0 3.0
   45    49    52    54   0.15000  1.0 3.0
   45    49   -52    60   0.56750  1.0 1.0
   45    49   -52    60  -0.07550 -1.0 2.0
   45    49   -52    60   0.20000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    63    55   0.08050  1.0 3.0
   49    45   -63    55  -0.25900  1.0 1.0
   49    45   -63    55  -0.47000 -1.0 2.0
   49    45   -63    55   0.11750  1.0 3.0
   49    51    55    56  -0.64400  1.0 1.0
   49    51    55    56   0.26850 -1.0 2.0
   49    51   -55    63  -0.15000  1.0 1.0
   49    51   -55    63   0.89550 -1.0 2.0
   49    51   -55    63  -0.06900  1.0 3.0
   49    51    57    58   7.00000 -1.0 2.0
   49    51    57    59   7.00000 -1.0 2.0
   49    52    60    61   0.15000  1.0 3.0
   49    52    60    62   0.15000  1.0 3.0
   49    52    60    64   0.56750  1.0 1.0
   49    52    60    64  -0.07550 -1.0 2.0
   49    52    60    64   0.20000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    57   0.00000  1.0 1.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    60   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    60   0.34400  1.0 1.0
   51    49    52    60   0.09450 -1.0 2.0
   51    49    52    60   0.11100  1.0 3.0
   51    55   -63    45   2.00000 -1.0 2.0
   55    51    57    58   7.00000 -1.0 2.0
   55    51    57    59   7.00000 -1.0 2.0
   56    55    63    45   3.00000 -1.0 2.0
   63    45    49    50   0.23400  1.0 3.0
   63    45   -49    51   0.61850  1.0 1.0
   63    45   -49    51  -0.22750 -1.0 2.0
   63    45   -49    51   0.15300  1.0 3.0
   63    45    49    52   0.62750  1.0 1.0
   63    45    49    52  -0.30950 -1.0 2.0
   63    45    49    52   0.27300  1.0 3.0
   57    51    55    56   1.00000 -1.0 2.0
   57    51    55    63  -0.56150  1.0 1.0
   57    51    55    63   2.19150 -1.0 2.0
   52    49    51    55   0.09700  1.0 1.0
   52    49    51    55   0.15600 -1.0 2.0
   52    49    51    55  -0.50800  1.0 3.0
   52    49    51    57   0.09850  1.0 1.0
   52    49    51    57   0.15250 -1.0 2.0
   52    49    51    57  -0.50650  1.0 3.0
   52    60   -64    37   0.56750  1.0 1.0
   52    60   -64    37  -0.07550 -1.0 2.0
   52    60   -64    37   0.20000  1.0 3.0
   52    60    64    65   0.56750  1.0 1.0
   52    60    64    65  -0.07550 -1.0 2.0
   52    60    64    65   0.20000  1.0 3.0
   52    60    64    67   0.56750  1.0 1.0
   52    60    64    67  -0.07550 -1.0 2.0
   52    60    64    67   0.20000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    64   0.15000  1.0 3.0
   54    52    60    61   0.15000  1.0 3.0
   54    52    60    62   0.15000  1.0 3.0
   54    52    60    64   0.15000  1.0 3.0
   60    64    65    66   0.15000  1.0 3.0
   60    64    65    71   0.56750  1.0 1.0
   60    64    65    71  -0.07550 -1.0 2.0
   60    64    65    71   0.20000  1.0 3.0
   60    64    65    74   0.86500  1.0 1.0
   60    64    65    74  -0.17500 -1.0 2.0
   60    64    65    74   0.20800  1.0 3.0
   60    64    67    68   0.15000  1.0 3.0
   60    64    67    69   0.15000  1.0 3.0
   60    64    67    70   0.15000  1.0 3.0
   61    60    64    37   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   62    60    64    37   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    67   0.15000  1.0 3.0
   64    37    45    46   0.15000  1.0 3.0
   64    37   -45    49   0.56750  1.0 1.0
   64    37   -45    49  -0.07550 -1.0 2.0
   64    37   -45    49   0.20000  1.0 3.0
   64    37    45    63   0.62750  1.0 1.0
   64    37    45    63  -0.30950 -1.0 2.0
   64    37    45    63   0.27300  1.0 3.0
   64    65    71    72   0.15000  1.0 3.0
   64    65    71    73   0.15000  1.0 3.0
   64    65    71    39   0.56750  1.0 1.0
   64    65    71    39  -0.07550 -1.0 2.0
   64    65    71    39   0.20000  1.0 3.0
   64    65    74    75  -0.11600  1.0 1.0
   64    65    74    75  -0.09450 -1.0 2.0
   64    65    74    75   0.21250  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    71   -39    33   0.56750  1.0 1.0
   65    71   -39    33  -0.07550 -1.0 2.0
   65    71   -39    33   0.20000  1.0 3.0
   65    71    39    40   0.15000  1.0 3.0
   65    71    39    47   0.86500  1.0 1.0
   65    71    39    47  -0.17500 -1.0 2.0
   65    71    39    47   0.20800  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    39   0.15000  1.0 3.0
   66    65    74    75   0.19450  1.0 3.0
   71    65    74    75  -0.11600  1.0 1.0
   71    65    74    75  -0.09450 -1.0 2.0
   71    65    74    75   0.21250  1.0 3.0
   71    39    47    48  -0.11600  1.0 1.0
   71    39    47    48  -0.09450 -1.0 2.0
   71    39    47    48   0.21250  1.0 3.0
   72    71    39    33   0.15000  1.0 3.0
   72    71    39    40   0.15000  1.0 3.0
   72    71    39    47   0.23400  1.0 3.0
   73    71    39    33   0.15000  1.0 3.0
   73    71    39    40   0.15000  1.0 3.0
   73    71    39    47   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33   -37    64   0.56750  1.0 1.0
   39    33   -37    64  -0.07550 -1.0 2.0
   39    33   -37    64   0.20000  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   0.19450  1.0 3.0
   74    65    71    72   0.23400  1.0 3.0
   74    65    71    73   0.23400  1.0 3.0
   74    65    71    39   0.86500  1.0 1.0
   74    65    71    39  -0.17500 -1.0 2.0
   74    65    71    39   0.20800  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.56750  1.0 1.0
   67    64    65    71  -0.07550 -1.0 2.0
   67    64    65    71   0.20000  1.0 3.0
   67    64    65    74   0.86500  1.0 1.0
   67    64    65    74  -0.17500 -1.0 2.0
   67    64    65    74   0.20800  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    45   0.56750  1.0 1.0
   41    33    37    45  -0.07550 -1.0 2.0
   41    33    37    45   0.20000  1.0 3.0
   41    33    37    64   0.56750  1.0 1.0
   41    33    37    64  -0.07550 -1.0 2.0
   41    33    37    64   0.20000  1.0 3.0
   41    33    39    71   0.56750  1.0 1.0
   41    33    39    71  -0.07550 -1.0 2.0
   41    33    39    71   0.20000  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    47   0.86500  1.0 1.0
   41    33    39    47  -0.17500 -1.0 2.0
   41    33    39    47   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   49    55    51    57   1.10000 -1.0 2.0
   51    63    55    56  10.50000 -1.0 2.0
   58    59    57    51   1.10000 -1.0 2.0
END
