* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    240     436
    1     0 S   NP   _N1_     1    28.61912    94.63102   -23.73106
    2     1 S   H    _HN1     2     1.02958    82.24545    23.15465
    3     1 S   H    _H1_     3     1.02834    27.02716   179.76261
    4     1 S   H    _H2_     4     1.02779   106.83793   -83.73041
    5     1 S   CT   _CA1     5     1.50133   131.46360   133.55786
    6     5 S   HC   _HA1     6     1.09578   105.19478    79.68305
    7     5 S   CO3  _C1_     7     1.53750   112.41658   -40.45559
    8     7 S   O2Z  _O11     8     1.26358   114.99010   -43.06390
    9     7 S   O2Z  _O12     9     1.26237   114.90792   136.01123
   10     5 S   CT   _CB1    10     1.53084   107.41623  -162.45301
   11    10 S   HC   HB11    11     1.09830   109.20445   -50.93599
   12    10 S   HC   HB12    12     1.09816   110.46130    65.56954
   13    10 S   CT   _CG1    13     1.53041   112.75431  -172.03938
   14    13 S   HC   HG11    14     1.09590   110.51537   -66.36290
   15    13 S   HC   HG12    15     1.09663   109.90175    52.88500
   16    13 S   C    _CD1    16     1.51838   112.24773   173.15891
   17    16 S   O    _OE1    17     1.22738   123.22570     2.34452
   18    16 S   N    _N2_    18     1.38661   111.74441  -177.40739
   19    18 S   H    _HN2    19     1.01583   119.05899     0.44057
   20    18 S   CT1  _CA2    20     1.46140   123.26841   177.89587
   21    20 S   HC   _HA2    21     1.09746   109.34516    -2.82702
   22    20 S   C    _C2_    22     1.53537   108.53955  -118.27336
   23    22 S   O    _O2_    23     1.23042   122.14210  -146.02370
   24    20 S   CT   _CB2    32     1.53373   111.95551   119.08528
   25    24 S   HC   HB21    33     1.09580   110.21227    56.57448
   26    24 S   HC   HB22    34     1.09396   109.70593   174.93337
   27    22 S   N    _N3_    24     1.38476   113.56347    41.37934
   28    27 S   H    _HN3    25     1.01493   118.99191    -0.61421
   29    24 S   S    _SG2    35     1.82991   111.74744   -63.54007
   30    27 S   CT   _CA3    26     1.45460   123.49111   175.01819
   31    30 S   HC   HA31    27     1.09517   109.32862    23.15712
   32    30 S   HC   HA32    28     1.09497   107.11422   140.18300
   33    29 S   CT   _C9_    36     1.91796   100.97682  -148.67825
   34    30 S   CO3  _C3_    29     1.52917   112.98590  -100.36895
   35    34 S   O2Z  _O31    30     1.26411   115.34198   -45.84662
   36    34 S   O2Z  _O32    31     1.26342   115.01945   135.02598
   37    33 S   CT   _C8_    37     1.52817   107.99799   -60.32432
   38    37 S   HC   _H12    38     1.09514   111.63447   167.44843
   39    37 S   HC   _H13    39     1.09315   114.87560    46.96399
   40    33 S   CT   _C14    51     1.57892   114.12915  -170.57166
   41    37 S   CT   _C7_    40     1.55120   101.84866   -73.72728
   42    41 S   HC   _H3_    41     1.09840   109.42017    94.20125
   43    40 S   CM   _C12    52     1.50566    99.06731   -66.68847
   44    40 S   CT   _C17    64     1.56069   116.44037  -177.89271
   45    44 S   HC   _H18    65     1.09229   113.18545   -64.77785
   46    44 S   HC   _H19    66     1.09715   110.39077   174.68906
   47    44 S   HC   _H20    67     1.09273   114.15612    57.52359
   48    41 S   CT   _C6_    42     1.52310   116.68867  -141.72922
   49    48 S   HC   _H10    43     1.09456   111.22375   -85.38692
   50    48 S   HC   _H11    44     1.09602   111.17047    33.67329
   51    43 S   CT   _C11    53     1.53198   108.08004   -35.28227
   52    51 S   HC   _H5_    54     1.09677   109.35614   129.62154
   53    43 S   CM   _C13    61     1.33771   126.17380   138.75189
   54    53 S   HC   _H14    62     1.08472   121.12875     3.59575
   55    53 S   HC   _H15    63     1.08451   121.07305  -176.38069
   56    48 S   CT   _C5_    45     1.53503   102.90478   152.20147
   57    33 S   CT   _C10    55     1.53222   105.10441    77.09056
   58    57 S   HC   _H4_    56     1.09477   114.37875   -38.21234
   59    51 S   OH   _O33    59     1.41694   111.93087  -109.72258
   60    59 S   HO   _H21    60     0.97190   107.65917   -53.35515
   61    56 S   CT   _C16    46     1.54093   102.93459   -42.52563
   62    61 S   HC   _H16    47     1.09162   109.81537   -86.24010
   63    61 S   HC   _H17    48     1.09524   113.40889   155.78665
   64    57 S   OH   _O34    57     1.42043   111.97346  -158.55972
   65    64 S   HO   _H22    58     0.97216   107.54289    66.37059
   66    56 S   CO3  _C18    68     1.55600   114.39023    80.15211
   67    66 S   O2Z  _O36    69     1.26460   115.64181  -157.31950
   68    66 S   O2Z  _O35    70     1.26406   115.75256    23.80333
   69    56 S   CT   _C4_    71     1.52977   111.47176  -162.62970
   70    69 S   HC   _H7_    72     1.09592   111.22684    55.71246
   71    69 S   HC   _H8_    73     1.09626   111.31953   -64.11209
   72    69 S   HC   _H9_    74     1.09615   111.57830   175.58359
   73    41 S   CT   _C15    49     1.56593   107.19406   -23.50174
   74    73 S   HC   _H6_    50     1.09771   109.21621   108.39578
  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
  23   2   1   1  18   7   6  23  15   7  17   9   3   2   1  15
   6   5  11   6   5   1   1  12   6   3   2   1  11   5   4   1
   1   7   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    57    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    73    40    43    51    57    58    64    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    48    61    73    74    40    43    51    52    57    58    64    65    59    53    44    45    46    47  
   35    36  
   36  
    0  
   38    39    41    42    48    49    50    56    61    73    74    40    43    51    57    58    64    44  
   39    41    42    48    73    40    57  
   41    42    48    73    40    57  
   43    51    52    57    58    64    59    53    54    55    44    45    46    47    41    42    48    56    61    62    63    73    74  
   42    48    49    50    56    61    62    63    73    74    43    57    44    66    69  
   48    49    50    56    61    73    74  
   51    52    57    58    64    59    60    53    54    55    44    45    46    47    61    73    74  
   45    46    47    51    53    57    61    73    74  
   46    47    73  
   47    73  
   73  
   49    50    56    61    62    63    73    74    66    67    68    69    70    71    72  
   50    56    61    73    66    69  
   56    61    73    66    69  
   52    57    58    64    65    59    60    53    54    55    73  
   57    58    64    59    60    53  
   54    55    57    59    73  
   55  
    0  
   61    62    63    73    74    66    67    68    69    70    71    72  
   58    64    65    59    60    73  
   64    65    59  
   60    64  
    0  
   62    63    73    74    66    67    68    69    70    71    72  
   63    73    74    66    69  
   73    74    66    69  
   65  
    0  
   67    68    69    70    71    72    73  
   68    69  
   69  
   70    71    72    73  
   71    72  
   72  
    0  
   74  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.100000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   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   268.000  1.529
   33    40   268.000  1.529
   33    57   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   268.000  1.529
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    73   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   268.000  1.529
   56    61   268.000  1.529
   56    66   317.000  1.522
   56    69   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    73   268.000  1.529
   73    74   340.000  1.090
   73    40   268.000  1.529
   40    43   317.000  1.510
   40    44   268.000  1.529
   43    51   317.000  1.510
   43    53   549.000  1.340
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    59   320.000  1.410
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    65   553.000  0.945
   59    60   553.000  0.945
   53    54   340.000  1.080
   53    55   340.000  1.080
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   66    67   656.000  1.250
   66    68   656.000  1.250
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    40    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    40    73    58.35000  112.70000
   33    40    43    70.00000  112.02700
   33    40    44    58.35000  112.70000
   33    57    51    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    64    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    41    73    58.35000  112.70000
   39    37    38    33.00000  107.80000
   41    37    38    37.50000  110.70000
   41    37    39    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    56    58.35000  112.70000
   41    73    61    58.35000  112.70000
   41    73    74    37.50000  110.70000
   41    73    40    58.35000  112.70000
   48    41    42    37.50000  110.70000
   48    56    61    58.35000  112.70000
   48    56    66    70.00000  109.69300
   48    56    69    58.35000  112.70000
   50    48    49    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    50    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    73    58.35000  112.70000
   56    66    67    70.00000  117.00000
   56    66    68    70.00000  117.00000
   56    69    70    37.50000  110.70000
   56    69    71    37.50000  110.70000
   56    69    72    37.50000  110.70000
   61    73    74    37.50000  110.70000
   61    73    40    58.35000  112.70000
   63    61    62    33.00000  107.80000
   73    41    42    37.50000  110.70000
   73    41    48    58.35000  112.70000
   73    61    62    37.50000  110.70000
   73    61    63    37.50000  110.70000
   73    40    43    70.00000  112.02700
   73    40    44    58.35000  112.70000
   40    33    37    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    43    51    65.00000  117.92700
   40    43    53    70.00000  124.00000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   43    51    52    35.00000  109.50000
   43    51    57    70.00000  112.02700
   43    51    59    90.00000  110.39200
   43    53    54    35.00000  120.00000
   43    53    55    35.00000  120.00000
   51    57    58    37.50000  110.70000
   51    57    64    50.00000  109.50000
   51    59    60    55.00000  108.50000
   57    33    37    58.35000  112.70000
   57    33    40    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    64    65    55.00000  108.50000
   64    57    58    35.00000  109.50000
   59    51    52    35.00000  109.50000
   59    51    57    50.00000  109.50000
   53    43    51    70.00000  124.00000
   55    53    54    35.00000  117.00000
   44    40    43    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   66    56    61    70.00000  109.69300
   68    66    67    80.00000  126.00000
   69    56    61    58.35000  112.70000
   69    56    66    70.00000  109.69300
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    39   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    57    51   0.44750  1.0 1.0
   29    33    57    51  -0.17800 -1.0 2.0
   29    33    57    51   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    64   0.56750  1.0 1.0
   29    33    57    64  -0.07550 -1.0 2.0
   29    33    57    64   0.20000  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    48   0.56750  1.0 1.0
   33    37    41    48  -0.07550 -1.0 2.0
   33    37    41    48   0.20000  1.0 3.0
   33    37   -41    73   0.56750  1.0 1.0
   33    37   -41    73  -0.07550 -1.0 2.0
   33    37   -41    73   0.20000  1.0 3.0
   33    40   -43    51   0.46850  1.0 1.0
   33    40   -43    51   0.08550 -1.0 2.0
   33    40   -43    51   0.09800  1.0 3.0
   33    40    43    53   0.09850  1.0 1.0
   33    40    43    53   0.15250 -1.0 2.0
   33    40    43    53  -0.50650  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   33    57    64    65  -0.11600  1.0 1.0
   33    57    64    65  -0.09450 -1.0 2.0
   33    57    64    65   0.21250  1.0 3.0
   37    33   -40    73   0.56750  1.0 1.0
   37    33   -40    73  -0.07550 -1.0 2.0
   37    33   -40    73   0.20000  1.0 3.0
   37    33    40    43   0.34400  1.0 1.0
   37    33    40    43   0.09450 -1.0 2.0
   37    33    40    43   0.11100  1.0 3.0
   37    33    40    44   0.56750  1.0 1.0
   37    33    40    44  -0.07550 -1.0 2.0
   37    33    40    44   0.20000  1.0 3.0
   37    33    57    51   0.56750  1.0 1.0
   37    33    57    51  -0.07550 -1.0 2.0
   37    33    57    51   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    64   0.86500  1.0 1.0
   37    33    57    64  -0.17500 -1.0 2.0
   37    33    57    64   0.20800  1.0 3.0
   37    41    48    49   0.15000  1.0 3.0
   37    41    48    50   0.15000  1.0 3.0
   37    41    48    56   0.56750  1.0 1.0
   37    41    48    56  -0.07550 -1.0 2.0
   37    41    48    56   0.20000  1.0 3.0
   37    41    73    61   0.56750  1.0 1.0
   37    41    73    61  -0.07550 -1.0 2.0
   37    41    73    61   0.20000  1.0 3.0
   37    41    73    74   0.15000  1.0 3.0
   37    41   -73    40   0.56750  1.0 1.0
   37    41   -73    40  -0.07550 -1.0 2.0
   37    41   -73    40   0.20000  1.0 3.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    48   0.15000  1.0 3.0
   38    37    41    73   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    48   0.15000  1.0 3.0
   39    37    41    73   0.15000  1.0 3.0
   41    48   -56    61   0.56750  1.0 1.0
   41    48   -56    61  -0.07550 -1.0 2.0
   41    48   -56    61   0.20000  1.0 3.0
   41    48    56    66  -1.63150  1.0 1.0
   41    48    56    66  -0.43550 -1.0 2.0
   41    48    56    66   0.24500  1.0 3.0
   41    48    56    69   0.56750  1.0 1.0
   41    48    56    69  -0.07550 -1.0 2.0
   41    48    56    69   0.20000  1.0 3.0
   41    73   -40    33   0.56750  1.0 1.0
   41    73   -40    33  -0.07550 -1.0 2.0
   41    73   -40    33   0.20000  1.0 3.0
   41    73    40    43   0.34400  1.0 1.0
   41    73    40    43   0.09450 -1.0 2.0
   41    73    40    43   0.11100  1.0 3.0
   41    73    40    44   0.56750  1.0 1.0
   41    73    40    44  -0.07550 -1.0 2.0
   41    73    40    44   0.20000  1.0 3.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    50   0.15000  1.0 3.0
   42    41    48    56   0.15000  1.0 3.0
   42    41    73    61   0.15000  1.0 3.0
   42    41    73    74   0.15000  1.0 3.0
   42    41    73    40   0.15000  1.0 3.0
   48    41   -73    61   0.56750  1.0 1.0
   48    41   -73    61  -0.07550 -1.0 2.0
   48    41   -73    61   0.20000  1.0 3.0
   48    41    73    74   0.15000  1.0 3.0
   48    41    73    40   0.56750  1.0 1.0
   48    41    73    40  -0.07550 -1.0 2.0
   48    41    73    40   0.20000  1.0 3.0
   48    56    61    62   0.15000  1.0 3.0
   48    56    61    63   0.15000  1.0 3.0
   48    56   -61    73   0.56750  1.0 1.0
   48    56   -61    73  -0.07550 -1.0 2.0
   48    56   -61    73   0.20000  1.0 3.0
   48    56    66    67   0.41150 -1.0 2.0
   48    56    66    68   0.41150 -1.0 2.0
   48    56    69    70   0.15000  1.0 3.0
   48    56    69    71   0.15000  1.0 3.0
   48    56    69    72   0.15000  1.0 3.0
   49    48    56    61   0.15000  1.0 3.0
   49    48    56    66  -0.11250  1.0 3.0
   49    48    56    69   0.15000  1.0 3.0
   50    48    56    61   0.15000  1.0 3.0
   50    48    56    66  -0.11250  1.0 3.0
   50    48    56    69   0.15000  1.0 3.0
   56    61   -73    41   0.56750  1.0 1.0
   56    61   -73    41  -0.07550 -1.0 2.0
   56    61   -73    41   0.20000  1.0 3.0
   56    61    73    74   0.15000  1.0 3.0
   56    61    73    40   0.56750  1.0 1.0
   56    61    73    40  -0.07550 -1.0 2.0
   56    61    73    40   0.20000  1.0 3.0
   61    56    66    67   0.41150 -1.0 2.0
   61    56    66    68   0.41150 -1.0 2.0
   61    56    69    70   0.15000  1.0 3.0
   61    56    69    71   0.15000  1.0 3.0
   61    56    69    72   0.15000  1.0 3.0
   61    73    40    33   0.56750  1.0 1.0
   61    73    40    33  -0.07550 -1.0 2.0
   61    73    40    33   0.20000  1.0 3.0
   61    73    40    43   0.34400  1.0 1.0
   61    73    40    43   0.09450 -1.0 2.0
   61    73    40    43   0.11100  1.0 3.0
   61    73    40    44   0.56750  1.0 1.0
   61    73    40    44  -0.07550 -1.0 2.0
   61    73    40    44   0.20000  1.0 3.0
   62    61    73    41   0.15000  1.0 3.0
   62    61    73    74   0.15000  1.0 3.0
   62    61    73    40   0.15000  1.0 3.0
   63    61    73    41   0.15000  1.0 3.0
   63    61    73    74   0.15000  1.0 3.0
   63    61    73    40   0.15000  1.0 3.0
   73    41    48    49   0.15000  1.0 3.0
   73    41    48    50   0.15000  1.0 3.0
   73    41   -48    56   0.56750  1.0 1.0
   73    41   -48    56  -0.07550 -1.0 2.0
   73    41   -48    56   0.20000  1.0 3.0
   73    40    43    51   0.46850  1.0 1.0
   73    40    43    51   0.08550 -1.0 2.0
   73    40    43    51   0.09800  1.0 3.0
   73    40    43    53   0.09850  1.0 1.0
   73    40    43    53   0.15250 -1.0 2.0
   73    40    43    53  -0.50650  1.0 3.0
   73    40    44    45   0.15000  1.0 3.0
   73    40    44    46   0.15000  1.0 3.0
   73    40    44    47   0.15000  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    43   0.15000  1.0 3.0
   74    73    40    44   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    41   0.56750  1.0 1.0
   40    33   -37    41  -0.07550 -1.0 2.0
   40    33   -37    41   0.20000  1.0 3.0
   40    33   -57    51   0.56750  1.0 1.0
   40    33   -57    51  -0.07550 -1.0 2.0
   40    33   -57    51   0.20000  1.0 3.0
   40    33    57    58   0.15000  1.0 3.0
   40    33    57    64   0.86500  1.0 1.0
   40    33    57    64  -0.17500 -1.0 2.0
   40    33    57    64   0.20800  1.0 3.0
   40    43    51    52   0.34800  1.0 3.0
   40    43   -51    57   0.46850  1.0 1.0
   40    43   -51    57   0.08550 -1.0 2.0
   40    43   -51    57   0.09800  1.0 3.0
   40    43    51    59   0.18000  1.0 1.0
   40    43    51    59   0.16450 -1.0 2.0
   40    43    51    59   0.04450  1.0 3.0
   40    43    53    54   7.00000 -1.0 2.0
   40    43    53    55   7.00000 -1.0 2.0
   43    40    44    45   0.15000  1.0 3.0
   43    40    44    46   0.15000  1.0 3.0
   43    40    44    47   0.15000  1.0 3.0
   43    51   -57    33   0.34400  1.0 1.0
   43    51   -57    33   0.09450 -1.0 2.0
   43    51   -57    33   0.11100  1.0 3.0
   43    51    57    58   0.15000  1.0 3.0
   43    51    57    64   1.05650  1.0 1.0
   43    51    57    64   0.15600 -1.0 2.0
   43    51    57    64   0.53150  1.0 3.0
   43    51    59    60  -0.07800  1.0 1.0
   43    51    59    60  -0.21500 -1.0 2.0
   43    51    59    60  -0.03150  1.0 3.0
   51    43    53    54   7.00000 -1.0 2.0
   51    43    53    55   7.00000 -1.0 2.0
   51    57    64    65  -0.11600  1.0 1.0
   51    57    64    65  -0.09450 -1.0 2.0
   51    57    64    65   0.21250  1.0 3.0
   52    51    57    33   0.15000  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    64   0.23400  1.0 3.0
   52    51    59    60   0.19450  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33    37    39   0.15000  1.0 3.0
   57    33    37    41   0.56750  1.0 1.0
   57    33    37    41  -0.07550 -1.0 2.0
   57    33    37    41   0.20000  1.0 3.0
   57    33    40    73   0.56750  1.0 1.0
   57    33    40    73  -0.07550 -1.0 2.0
   57    33    40    73   0.20000  1.0 3.0
   57    33   -40    43   0.34400  1.0 1.0
   57    33   -40    43   0.09450 -1.0 2.0
   57    33   -40    43   0.11100  1.0 3.0
   57    33    40    44   0.56750  1.0 1.0
   57    33    40    44  -0.07550 -1.0 2.0
   57    33    40    44   0.20000  1.0 3.0
   57    51    59    60  -0.11600  1.0 1.0
   57    51    59    60  -0.09450 -1.0 2.0
   57    51    59    60   0.21250  1.0 3.0
   58    57    64    65   0.19450  1.0 3.0
   59    51    57    33   0.86500  1.0 1.0
   59    51    57    33  -0.17500 -1.0 2.0
   59    51    57    33   0.20800  1.0 3.0
   59    51    57    58   0.23400  1.0 3.0
   59    51    57    64   3.75450  1.0 1.0
   53    43    51    52   0.00000  1.0 1.0
   53    43    51    57   0.09850  1.0 1.0
   53    43    51    57   0.15250 -1.0 2.0
   53    43    51    57  -0.50650  1.0 3.0
   53    43    51    59   0.67800  1.0 1.0
   53    43    51    59   0.47050 -1.0 2.0
   53    43    51    59  -0.62500  1.0 3.0
   44    40    43    51   0.46850  1.0 1.0
   44    40    43    51   0.08550 -1.0 2.0
   44    40    43    51   0.09800  1.0 3.0
   44    40    43    53   0.09850  1.0 1.0
   44    40    43    53   0.15250 -1.0 2.0
   44    40    43    53  -0.50650  1.0 3.0
   66    56    61    62  -0.11250  1.0 3.0
   66    56    61    63  -0.11250  1.0 3.0
   66    56    61    73  -1.63150  1.0 1.0
   66    56    61    73  -0.43550 -1.0 2.0
   66    56    61    73   0.24500  1.0 3.0
   66    56    69    70  -0.11250  1.0 3.0
   66    56    69    71  -0.11250  1.0 3.0
   66    56    69    72  -0.11250  1.0 3.0
   69    56    61    62   0.15000  1.0 3.0
   69    56    61    63   0.15000  1.0 3.0
   69    56    61    73   0.56750  1.0 1.0
   69    56    61    73  -0.07550 -1.0 2.0
   69    56    61    73   0.20000  1.0 3.0
   69    56    66    67   0.41150 -1.0 2.0
   69    56    66    68   0.41150 -1.0 2.0
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
   40    51    43    53   1.10000 -1.0 2.0
   54    55    53    43   1.10000 -1.0 2.0
   67    56    66    68  10.50000 -1.0 2.0
END
