* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    145    236     423
    1     0 S   NP   _N1_     1    28.77897    95.79387   -23.30362
    2     1 S   H    _HN1     2     1.02827    32.85299   155.73161
    3     1 S   H    _H1_     3     1.02789   103.83132  -102.61842
    4     1 S   H    _H2_     4     1.02950    77.98485     3.58785
    5     1 S   CT   _CA1     5     1.50127   137.09945   110.72204
    6     5 S   HC   _HA1     6     1.09575   105.17944    83.53831
    7     5 S   CO3  _C1_     7     1.53779   112.37799   -36.65471
    8     7 S   O2Z  _O11     8     1.26374   115.01304   -44.24084
    9     7 S   O2Z  _O12     9     1.26236   114.93451   134.72896
   10     5 S   CT   _CB1    10     1.53057   107.38524  -158.54962
   11    10 S   HC   HB11    11     1.09837   109.33126   -49.79558
   12    10 S   HC   HB12    12     1.09812   110.47680    66.79057
   13    10 S   CT   _CG1    13     1.53000   112.63317  -170.76256
   14    13 S   HC   HG11    14     1.09581   110.64484   -66.14397
   15    13 S   HC   HG12    15     1.09669   109.78742    53.10896
   16    13 S   C    _CD1    16     1.51810   112.10538   173.51650
   17    16 S   O    _OE1    17     1.22747   123.22620     7.72408
   18    16 S   N    _N2_    18     1.38636   111.74585  -172.20059
   19    18 S   H    _HN2    19     1.01579   119.05618     1.24144
   20    18 S   CT1  _CA2    20     1.46246   123.40596   177.76805
   21    20 S   HC   _HA2    21     1.09746   109.24261     6.22180
   22    20 S   C    _C2_    22     1.53664   109.02492  -109.28915
   23    22 S   O    _O2_    23     1.23087   122.22558  -150.41373
   24    20 S   CT   _CB2    32     1.53557   111.60025   128.07473
   25    24 S   HC   HB21    33     1.09451   109.28772    56.92739
   26    24 S   HC   HB22    34     1.09314   109.61681   175.55375
   27    22 S   N    _N3_    24     1.38318   113.90651    37.16334
   28    27 S   H    _HN3    25     1.01553   119.58489    -3.44679
   29    24 S   S    _SG2    35     1.83103   110.84720   -63.64323
   30    27 S   CT   _CA3    26     1.45274   123.22761   177.09269
   31    30 S   HC   HA31    27     1.09549   107.52463   -64.35844
   32    30 S   HC   HA32    28     1.09557   107.97154    52.07759
   33    29 S   CT   _C11    36     1.91228   103.25578  -170.70037
   34    30 S   CO3  _C3_    29     1.52959   114.09104   174.07934
   35    34 S   O2Z  _O31    30     1.26375   116.09258    -0.15826
   36    34 S   O2Z  _O32    31     1.26429   114.40671   179.89913
   37    33 S   C3T  _C12    37     1.53069   101.55265    75.74724
   38    37 S   HC   _H5_    38     1.07699   118.94398   -41.60673
   39    33 S   CT   _C17    70     1.58233   111.24653   -40.47087
   40    39 S   OM   _O37    71     1.32651   109.90301   -62.49012
   41    39 S   HC   _H16    72     1.10133   106.05343   169.30370
   42    39 S   HC   _H17    73     1.10232   106.10966    65.65491
   43    37 S   C3T  _C13    39     1.48000   111.05097   106.55232
   44    43 S   HC   _H6_    40     1.07735   122.20878  -145.42452
   45    43 S   CT   _C14    41     1.50631   112.20489     3.10753
   46    37 S   O3T  _O36    69     1.43469   116.13277   171.39677
   47    45 S   CT   _C15    42     1.54525   112.68268  -119.12994
   48    47 S   HC   _H7_    43     1.09573   112.57123   -65.54178
   49    33 S   CT   _C10    52     1.65548   114.00242  -173.90162
   50    45 S   OH   _O35    67     1.43264   105.73799   124.79339
   51    50 S   HO   _H15    68     0.97236   108.18978    53.69780
   52    47 S   CO4  _C16    44     1.50912   110.04657    57.12557
   53    52 S   O    _O33    45     1.21986   126.45706   -89.10833
   54    49 S   CT   _C18    53     1.56226   110.57068   149.45264
   55    54 S   HC   _H18    54     1.09446   112.24725    55.67847
   56    54 S   HC   _H19    55     1.09359   112.16596   -66.55095
   57    54 S   HC   _H20    56     1.09718   111.02798   175.59536
   58    52 S   OS   _O34    46     1.37252   108.24333    89.65334
   59    58 S   CT   _C8_    47     1.43873   108.21287     0.51434
   60    59 S   HC   _H4_    48     1.09521   107.80933   148.36026
   61    59 S   CT   _C9_    49     1.53714   110.41631   -90.93863
   62    61 S   HC   _H13    50     1.09611   106.78995  -172.17667
   63    61 S   HC   _H14    51     1.09476   109.20752   -60.54986
   64    47 S   CT   _C7_    57     1.53831   114.84564   166.99150
   65    64 S   HC   _H3_    58     1.10410   106.75080   179.90721
   66    64 S   CM   _C5_    59     1.51457   122.33280    60.69977
   67    66 S   CM   _C6_    60     1.34309   123.10004    29.75824
   68    67 S   HC   _H11    61     1.08542   121.42345   176.80800
   69    67 S   HC   _H12    62     1.08349   122.09014    -1.42423
   70    66 S   CT   _C4_    63     1.50651   117.28497  -157.64515
   71    70 S   HC   _H8_    64     1.09509   110.25184   -49.03064
   72    70 S   HC   _H9_    65     1.09236   111.30190    71.66610
   73    70 S   HC   _H10    66     1.09569   112.13084  -168.29127
  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  14   6   9   3   2   1  12   5  20   3  16   9
  14   5   1   8   3   7   3   2   1   8   9   6   5   2   1   9
   3   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    61    49    54    46    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    59    61    62    63    49    54    55    56    57    50    46    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    47    61    49    54    50    46    39    40    41    42  
   43    44    45    49    46    39  
   40    41    42    43    45    46    49    54    61  
   41    42    49  
   42    49  
   49  
   44    45    47    48    52    61    49    54    64    50    51    46  
   45    47    49    50    46  
   47    48    52    53    58    59    61    62    63    49    54    55    56    57    64    65    66    50    51    46  
   47    49    50  
   48    52    53    58    59    60    61    49    54    64    65    66    67    70    50    51  
   52    53    58    59    49    64    65    66    50  
   54    55    56    57    64    50    51    52    58    59    60    61    62    63  
   51    52    54    61    64  
    0  
   53    58    59    60    61    64    65    66  
   58    59    64  
   55    56    57    59    61    62    63  
   56    57    61  
   57    61  
   61  
   59    60    61    62    63    64    65    66  
   60    61    62    63    64    65    66    67    70  
   61    62    63    64    65    66  
   62    63    64    65    66  
   63    64  
   64  
   65    66    67    68    69    70    71    72    73  
   66    67    70  
   67    68    69    70    71    72    73  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   275.000  1.510
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.088
   37    43   260.000  1.509
   37    46   335.000  1.432
   43    44   340.000  1.088
   43    45   275.000  1.510
   43    46   335.000  1.432
   45    47   268.000  1.529
   45    49   268.000  1.529
   45    50   320.000  1.410
   47    48   340.000  1.090
   47    52   317.000  1.522
   47    64   268.000  1.529
   52    53   570.000  1.229
   52    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    49   268.000  1.529
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   64    65   340.000  1.090
   64    66   317.000  1.510
   66    67   549.000  1.340
   66    70   317.000  1.510
   67    68   340.000  1.080
   67    69   340.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   50    51   553.000  0.945
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   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    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    40.00000  115.04500
   33    37    43    60.00000  120.94000
   33    37    46    80.00000  116.47100
   33    49    45    58.35000  112.70000
   33    49    61    58.35000  112.70000
   33    49    54    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  117.20000
   37    43    45    60.00000  120.94000
   37    43    46    15.00000   60.43100
   37    46    43    15.00000   59.14900
   43    37    38    37.50000  117.20000
   43    45    47    70.00000  112.37300
   43    45    49    70.00000  112.37300
   43    45    50    50.00000  109.50000
   45    43    44    40.00000  115.04500
   45    47    48    37.50000  110.70000
   45    47    52    63.00000  111.10000
   45    47    64    58.35000  112.70000
   45    49    61    58.35000  112.70000
   45    49    54    58.35000  112.70000
   45    50    51    55.00000  108.50000
   47    52    53    80.00000  120.40000
   47    52    58    81.00000  111.40000
   47    64    59    58.35000  112.70000
   47    64    65    37.50000  110.70000
   47    64    66    70.00000  112.02700
   52    47    48    35.00000  109.50000
   52    58    59    83.00000  116.90000
   58    52    53    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   58    59    64    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    49    58.35000  112.70000
   59    64    65    37.50000  110.70000
   59    64    66    70.00000  112.02700
   61    59    60    37.50000  110.70000
   61    49    54    58.35000  112.70000
   63    61    62    33.00000  107.80000
   49    33    37    70.00000  112.37300
   49    45    47    58.35000  112.70000
   49    61    62    37.50000  110.70000
   49    61    63    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   64    47    48    37.50000  110.70000
   64    47    52    63.00000  111.10000
   64    59    60    37.50000  110.70000
   64    59    61    58.35000  112.70000
   64    66    67    70.00000  124.00000
   64    66    70    65.00000  117.92700
   66    64    65    35.00000  109.50000
   66    67    68    35.00000  120.00000
   66    67    69    35.00000  120.00000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   69    67    68    35.00000  117.00000
   70    66    67    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   50    45    47    50.00000  109.50000
   50    45    49    50.00000  109.50000
   46    37    38    50.00000  114.27700
   46    37    43    15.00000   60.43100
   46    43    44    50.00000  114.27700
   46    43    45    80.00000  116.47100
   39    33    37    70.00000  112.37300
   39    33    49    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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
   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    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    49    45   0.44750  1.0 1.0
   29    33    49    45  -0.17800 -1.0 2.0
   29    33    49    45   0.20200  1.0 3.0
   29    33    49    61   0.44750  1.0 1.0
   29    33    49    61  -0.17800 -1.0 2.0
   29    33    49    61   0.20200  1.0 3.0
   29    33    49    54   0.44750  1.0 1.0
   29    33    49    54  -0.17800 -1.0 2.0
   29    33    49    54   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37   -43    45   0.56750  1.0 1.0
   33    37   -43    45  -0.07550 -1.0 2.0
   33    37   -43    45   0.20000  1.0 3.0
   33    37   -43    46   0.02550  1.0 1.0
   33    37   -43    46  -0.02600 -1.0 2.0
   33    37   -43    46   1.20400  1.0 3.0
   33    37   -46    43   0.06250  1.0 1.0
   33    37   -46    43  -0.01100 -1.0 2.0
   33    37   -46    43   0.28050  1.0 3.0
   33    49    54    55   0.15000  1.0 3.0
   33    49    54    56   0.15000  1.0 3.0
   33    49    54    57   0.15000  1.0 3.0
   37    33   -49    45   0.47050  1.0 1.0
   37    33   -49    45   0.03900 -1.0 2.0
   37    33   -49    45   0.20100  1.0 3.0
   37    33    49    61   0.47050  1.0 1.0
   37    33    49    61   0.03900 -1.0 2.0
   37    33    49    61   0.20100  1.0 3.0
   37    33    49    54   0.47050  1.0 1.0
   37    33    49    54   0.03900 -1.0 2.0
   37    33    49    54   0.20100  1.0 3.0
   37    33    39    40  -0.26800  1.0 1.0
   37    33    39    40   0.69150 -1.0 2.0
   37    33    39    40  -0.48750  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    45    47   0.07850  1.0 1.0
   37    43    45    47  -0.03950 -1.0 2.0
   37    43    45    47   0.67350  1.0 3.0
   37    43   -45    49   0.07850  1.0 1.0
   37    43   -45    49  -0.03950 -1.0 2.0
   37    43   -45    49   0.67350  1.0 3.0
   37    43    45    50   0.86500  1.0 1.0
   37    43    45    50  -0.17500 -1.0 2.0
   37    43    45    50   0.20800  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37   -43    46   0.23400  1.0 3.0
   38    37   -46    43   0.36800  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    52  -0.95700  1.0 1.0
   43    45    47    52  -0.18200 -1.0 2.0
   43    45    47    52   0.29450  1.0 3.0
   43    45    47    64   0.47050  1.0 1.0
   43    45    47    64   0.03900 -1.0 2.0
   43    45    47    64   0.20100  1.0 3.0
   43    45   -49    33   0.47050  1.0 1.0
   43    45   -49    33   0.03900 -1.0 2.0
   43    45   -49    33   0.20100  1.0 3.0
   43    45    49    61   0.47050  1.0 1.0
   43    45    49    61   0.03900 -1.0 2.0
   43    45    49    61   0.20100  1.0 3.0
   43    45    49    54   0.47050  1.0 1.0
   43    45    49    54   0.03900 -1.0 2.0
   43    45    49    54   0.20100  1.0 3.0
   43    45    50    51  -0.11600  1.0 1.0
   43    45    50    51  -0.09450 -1.0 2.0
   43    45    50    51   0.21250  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43   -46    37   0.36800  1.0 3.0
   45    43   -46    37   0.06250  1.0 1.0
   45    43   -46    37  -0.01100 -1.0 2.0
   45    43   -46    37   0.28050  1.0 3.0
   45    47    52    53   0.30150 -1.0 2.0
   45    47    52    58   0.36750  1.0 3.0
   45    47    64    59   0.56750  1.0 1.0
   45    47    64    59  -0.07550 -1.0 2.0
   45    47    64    59   0.20000  1.0 3.0
   45    47    64    65   0.15000  1.0 3.0
   45    47    64    66   0.34400  1.0 1.0
   45    47    64    66   0.09450 -1.0 2.0
   45    47    64    66   0.11100  1.0 3.0
   45    49    54    55   0.15000  1.0 3.0
   45    49    54    56   0.15000  1.0 3.0
   45    49    54    57   0.15000  1.0 3.0
   47    45    49    33   0.56750  1.0 1.0
   47    45    49    33  -0.07550 -1.0 2.0
   47    45    49    33   0.20000  1.0 3.0
   47    45    49    61   0.56750  1.0 1.0
   47    45    49    61  -0.07550 -1.0 2.0
   47    45    49    61   0.20000  1.0 3.0
   47    45    49    54   0.56750  1.0 1.0
   47    45    49    54  -0.07550 -1.0 2.0
   47    45    49    54   0.20000  1.0 3.0
   47    45    50    51  -0.11600  1.0 1.0
   47    45    50    51  -0.09450 -1.0 2.0
   47    45    50    51   0.21250  1.0 3.0
   47    52   -58    59   1.63150  1.0 1.0
   47    52   -58    59   2.92000 -1.0 2.0
   47    64    66    67   0.09850  1.0 1.0
   47    64    66    67   0.15250 -1.0 2.0
   47    64    66    67  -0.50650  1.0 3.0
   47    64    66    70   0.46850  1.0 1.0
   47    64    66    70   0.08550 -1.0 2.0
   47    64    66    70   0.09800  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    58   0.00000  1.0 1.0
   48    47    64    59   0.15000  1.0 3.0
   48    47    64    65   0.15000  1.0 3.0
   48    47    64    66   0.15000  1.0 3.0
   52    47   -64    59  -0.95700  1.0 1.0
   52    47   -64    59  -0.18200 -1.0 2.0
   52    47   -64    59   0.29450  1.0 3.0
   52    47    64    65  -0.11250  1.0 3.0
   52    47    64    66  -0.98800  1.0 1.0
   52    47    64    66   0.48800 -1.0 2.0
   52    47    64    66   0.76800  1.0 3.0
   52    58    59    60   0.08050  1.0 3.0
   52    58    59    61  -0.25900  1.0 1.0
   52    58    59    61  -0.47000 -1.0 2.0
   52    58    59    61   0.11750  1.0 3.0
   52    58   -59    64  -0.25900  1.0 1.0
   52    58   -59    64  -0.47000 -1.0 2.0
   52    58   -59    64   0.11750  1.0 3.0
   53    52    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.23400  1.0 3.0
   58    59    61    49   0.62750  1.0 1.0
   58    59    61    49  -0.30950 -1.0 2.0
   58    59    61    49   0.27300  1.0 3.0
   58    59   -64    47   0.62750  1.0 1.0
   58    59   -64    47  -0.30950 -1.0 2.0
   58    59   -64    47   0.27300  1.0 3.0
   58    59    64    65   0.23400  1.0 3.0
   58    59    64    66   0.61850  1.0 1.0
   58    59    64    66  -0.22750 -1.0 2.0
   58    59    64    66   0.15300  1.0 3.0
   59    61    49    33   0.56750  1.0 1.0
   59    61    49    33  -0.07550 -1.0 2.0
   59    61    49    33   0.20000  1.0 3.0
   59    61   -49    45   0.56750  1.0 1.0
   59    61   -49    45  -0.07550 -1.0 2.0
   59    61   -49    45   0.20000  1.0 3.0
   59    61    49    54   0.56750  1.0 1.0
   59    61    49    54  -0.07550 -1.0 2.0
   59    61    49    54   0.20000  1.0 3.0
   59    64    66    67   0.09850  1.0 1.0
   59    64    66    67   0.15250 -1.0 2.0
   59    64    66    67  -0.50650  1.0 3.0
   59    64    66    70   0.46850  1.0 1.0
   59    64    66    70   0.08550 -1.0 2.0
   59    64    66    70   0.09800  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    49   0.15000  1.0 3.0
   60    59    64    47   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   61    59   -64    47   0.56750  1.0 1.0
   61    59   -64    47  -0.07550 -1.0 2.0
   61    59   -64    47   0.20000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.34400  1.0 1.0
   61    59    64    66   0.09450 -1.0 2.0
   61    59    64    66   0.11100  1.0 3.0
   61    49    54    55   0.15000  1.0 3.0
   61    49    54    56   0.15000  1.0 3.0
   61    49    54    57   0.15000  1.0 3.0
   62    61    49    33   0.15000  1.0 3.0
   62    61    49    45   0.15000  1.0 3.0
   62    61    49    54   0.15000  1.0 3.0
   63    61    49    33   0.15000  1.0 3.0
   63    61    49    45   0.15000  1.0 3.0
   63    61    49    54   0.15000  1.0 3.0
   49    33    37    38   0.15000  1.0 3.0
   49    33   -37    43   0.07850  1.0 1.0
   49    33   -37    43  -0.03950 -1.0 2.0
   49    33   -37    43   0.67350  1.0 3.0
   49    33    37    46   0.02550  1.0 1.0
   49    33    37    46  -0.02600 -1.0 2.0
   49    33    37    46   1.20400  1.0 3.0
   49    33    39    40   0.62750  1.0 1.0
   49    33    39    40  -0.30950 -1.0 2.0
   49    33    39    40   0.27300  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    33    39    42   0.15000  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    52  -0.95700  1.0 1.0
   49    45    47    52  -0.18200 -1.0 2.0
   49    45    47    52   0.29450  1.0 3.0
   49    45    47    64   0.56750  1.0 1.0
   49    45    47    64  -0.07550 -1.0 2.0
   49    45    47    64   0.20000  1.0 3.0
   49    45    50    51  -0.11600  1.0 1.0
   49    45    50    51  -0.09450 -1.0 2.0
   49    45    50    51   0.21250  1.0 3.0
   64    47    52    53   0.30150 -1.0 2.0
   64    47   -52    58   0.36750  1.0 3.0
   64    59    61    62   0.15000  1.0 3.0
   64    59    61    63   0.15000  1.0 3.0
   64    59   -61    49   0.56750  1.0 1.0
   64    59   -61    49  -0.07550 -1.0 2.0
   64    59   -61    49   0.20000  1.0 3.0
   64    66    67    68   7.00000 -1.0 2.0
   64    66    67    69   7.00000 -1.0 2.0
   64    66    70    71   0.34800  1.0 3.0
   64    66    70    72   0.34800  1.0 3.0
   64    66    70    73   0.34800  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    70   0.34800  1.0 3.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   70    66    67    68   7.00000 -1.0 2.0
   70    66    67    69   7.00000 -1.0 2.0
   50    45    47    48   0.23400  1.0 3.0
   50    45    47    52  -0.09450  1.0 1.0
   50    45    47    52  -1.12950 -1.0 2.0
   50    45    47    52   0.54000  1.0 3.0
   50    45    47    64   0.86500  1.0 1.0
   50    45    47    64  -0.17500 -1.0 2.0
   50    45    47    64   0.20800  1.0 3.0
   50    45    49    33   0.86500  1.0 1.0
   50    45    49    33  -0.17500 -1.0 2.0
   50    45    49    33   0.20800  1.0 3.0
   50    45    49    61   0.86500  1.0 1.0
   50    45    49    61  -0.17500 -1.0 2.0
   50    45    49    61   0.20800  1.0 3.0
   50    45    49    54   0.86500  1.0 1.0
   50    45    49    54  -0.17500 -1.0 2.0
   50    45    49    54   0.20800  1.0 3.0
   46    37   -43    44   0.23400  1.0 3.0
   46    37   -43    45   0.02550  1.0 1.0
   46    37   -43    45  -0.02600 -1.0 2.0
   46    37   -43    45   1.20400  1.0 3.0
   46    43    45    47   0.02550  1.0 1.0
   46    43    45    47  -0.02600 -1.0 2.0
   46    43    45    47   1.20400  1.0 3.0
   46    43   -45    49   0.02550  1.0 1.0
   46    43   -45    49  -0.02600 -1.0 2.0
   46    43   -45    49   1.20400  1.0 3.0
   46    43    45    50   3.69350  1.0 1.0
   46    43    45    50  -1.82950 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.07850  1.0 1.0
   39    33    37    43  -0.03950 -1.0 2.0
   39    33    37    43   0.67350  1.0 3.0
   39    33    37    46   0.02550  1.0 1.0
   39    33    37    46  -0.02600 -1.0 2.0
   39    33    37    46   1.20400  1.0 3.0
   39    33    49    45   0.56750  1.0 1.0
   39    33    49    45  -0.07550 -1.0 2.0
   39    33    49    45   0.20000  1.0 3.0
   39    33    49    61   0.56750  1.0 1.0
   39    33    49    61  -0.07550 -1.0 2.0
   39    33    49    61   0.20000  1.0 3.0
   39    33    49    54   0.56750  1.0 1.0
   39    33    49    54  -0.07550 -1.0 2.0
   39    33    49    54   0.20000  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
   47    58    52    53  10.50000 -1.0 2.0
   64    70    66    67  15.00000 -1.0 2.0
   68    69    67    66  15.00000 -1.0 2.0
END
