* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    128    188     373
    1     0 S   NP   _N1_     1    28.65718    96.22583   -23.83932
    2     1 S   H    _HN1     2     1.02786   107.33998   -94.47059
    3     1 S   H    _H1_     3     1.02949    73.79759    10.18300
    4     1 S   H    _H2_     4     1.02828    35.59338   168.83592
    5     1 S   CT   _CA1     5     1.50110   135.73220   113.02214
    6     5 S   HC   _HA1     6     1.09573   105.19670    90.23258
    7     5 S   CO3  _C1_     7     1.53792   112.45904   -30.01021
    8     7 S   O2Z  _O11     8     1.26373   115.00808   -42.62588
    9     7 S   O2Z  _O12     9     1.26240   114.94921   136.50660
   10     5 S   CT   _CB1    10     1.53079   107.42202  -151.77780
   11    10 S   HC   HB11    11     1.09833   109.38493   -49.62553
   12    10 S   HC   HB12    12     1.09813   110.44600    66.98933
   13    10 S   CT   _CG1    13     1.52988   112.59701  -170.59402
   14    13 S   HC   HG11    14     1.09583   110.63107   -65.50040
   15    13 S   HC   HG12    15     1.09671   109.78398    53.72764
   16    13 S   C    _CD1    16     1.51802   112.22872   174.19684
   17    16 S   O    _OE1    17     1.22734   123.27483     6.97629
   18    16 S   N    _N2_    18     1.38633   111.64495  -173.10508
   19    18 S   H    _HN2    19     1.01582   119.00792     1.66988
   20    18 S   CT1  _CA2    20     1.46252   123.48198   177.89513
   21    20 S   HC   _HA2    21     1.09739   109.26896     4.29359
   22    20 S   C    _C2_    22     1.53619   109.04693  -111.20276
   23    22 S   O    _O2_    23     1.23069   122.23773  -151.54166
   24    20 S   CT   _CB2    32     1.53356   111.35191   126.18345
   25    24 S   HC   HB21    33     1.09482   109.67288    55.70162
   26    24 S   HC   HB22    34     1.09500   110.31978   174.91130
   27    22 S   N    _N3_    24     1.38321   113.86439    36.07158
   28    27 S   H    _HN3    25     1.01561   119.55262    -3.54508
   29    24 S   S    _SG2    35     1.82882   111.19800   -65.30081
   30    27 S   CT   _CA3    26     1.45272   123.23400   177.08563
   31    30 S   HC   HA31    27     1.09548   107.53687   -64.19623
   32    30 S   HC   HA32    28     1.09557   107.96533    52.24775
   33    29 S   CT   _C13    36     1.84058    99.98445  -179.15235
   34    33 S   HC   _H4_    37     1.09184   102.67141    47.26499
   35    30 S   CO3  _C3_    29     1.52957   114.06593   174.24183
   36    35 S   O2Z  _O31    30     1.26379   116.07429    -0.02798
   37    35 S   O2Z  _O32    31     1.26429   114.41219  -179.97202
   38    33 S   CM   _C6_    38     1.54500   110.98856   162.90049
   39    33 S   CM   _C14    63     1.51373   111.67022   -69.72864
   40    39 S   HC   _H19    64     1.08660   116.51582   -68.34098
   41    38 S   CM   _C5_    39     1.36376   124.97674    58.12028
   42    39 S   CMA  _C15    65     1.35308   125.90993   112.05020
   43    42 S   OM   _O34    66     1.26143   131.67200    -0.68128
   44    41 S   CT   _C10    40     1.51668   122.99933  -176.17346
   45    44 S   HC   _H10    41     1.09814   109.91045   135.97510
   46    44 S   HC   _H11    42     1.09858   108.61571  -109.05222
   47    41 S   CT   _C4_    59     1.51172   126.66609     3.41335
   48    47 S   HC   _H5_    60     1.09583   109.73224   123.62833
   49    47 S   HC   _H6_    61     1.08776   115.22627     3.37179
   50    47 S   HC   _H7_    62     1.09565   109.93741  -117.57772
   51    42 S   CT   _C16    67     1.51906   117.27106   179.69933
   52    51 S   HC   _H20    68     1.09768   111.19658   119.32790
   53    51 S   HC   _H21    69     1.09767   111.18301  -119.65323
   54    51 S   HC   _H22    70     1.09662   112.40576    -0.16786
   55    44 S   CT   _C9_    43     1.52017   114.87103    14.43359
   56    55 S   HC   _H3_    44     1.09535   110.82285    76.89012
   57    55 S   CT   _C8_    45     1.51539   109.25342   -45.45268
   58    57 S   HC   _H8_    46     1.09851   109.60585  -175.20752
   59    57 S   HC   _H9_    47     1.10024   108.66288   -61.24525
   60    55 S   OH   _O33    57     1.42486   109.67193  -164.55234
   61    60 S   HO   _H12    58     0.97247   107.45937   -59.64688
   62    38 S   CT   _C7_    48     1.56041   114.43636  -120.98907
   63    62 S   CT   _C11    49     1.54716   112.30706   -50.21246
   64    63 S   HC   _H13    50     1.09691   110.93393  -170.55885
   65    63 S   HC   _H14    51     1.09369   112.64832    70.62187
   66    63 S   HC   _H15    52     1.09601   111.20280   -50.91348
   67    62 S   CT   _C12    53     1.54569   109.18258    70.36088
   68    67 S   HC   _H16    54     1.09620   111.08762   174.61100
   69    67 S   HC   _H17    55     1.09545   111.76944    54.31904
   70    67 S   HC   _H18    56     1.09537   111.99688   -66.00825
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1  24   9   3  14   5   4  14   6   5   5   2
   1   1   3   2   1   1   9   6  13   5   4   2   1   8   7   3
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    62    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    57    62    63    67    47    39    40    42    43    51  
   38    41    62    39    40    42  
   36    37  
   37  
    0  
   41    44    45    46    55    57    58    59    62    63    64    65    66    67    68    69    70    47    48    49    50    39    40    42  
   40    42    43    51    52    53    54    41    62  
   42    43    51  
   44    45    46    55    56    57    62    63    67    60    47    48    49    50  
   43    51    52    53    54  
   51    52    53    54  
   45    46    55    56    57    58    59    62    60    61    47    48    49    50  
   46    55    56    57    60    47  
   55    56    57    60    47  
   48    49    50    55    62  
   49    50  
   50  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    62    63    67    60    61  
   57    58    59    62    60    61  
   58    59    62    63    64    65    66    67    68    69    70    60    61  
   59    62    63    67    60  
   62    63    67    60  
   61    62  
    0  
   63    64    65    66    67    68    69    70  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   549.000  1.340
   38    62   317.000  1.510
   41    44   317.000  1.510
   41    47   317.000  1.510
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   268.000  1.529
   62    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   60    61   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   39    40   340.000  1.080
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    51   270.000  1.512
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  124.00000
   33    38    62    65.00000  117.92700
   33    39    40    35.00000  117.00000
   33    39    42    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    44    70.00000  124.00000
   38    41    47    70.00000  124.00000
   38    62    57    70.00000  112.02700
   38    62    63    70.00000  112.02700
   38    62    67    70.00000  112.02700
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    55    70.00000  112.02700
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    50    35.00000  109.50000
   44    55    56    37.50000  110.70000
   44    55    57    58.35000  112.70000
   44    55    60    50.00000  109.50000
   46    44    45    33.00000  107.80000
   55    44    45    37.50000  110.70000
   55    44    46    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    62    58.35000  112.70000
   55    60    61    55.00000  108.50000
   57    55    56    37.50000  110.70000
   57    62    63    58.35000  112.70000
   57    62    67    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    38    41    70.00000  124.00000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    66    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    62    63    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
   60    55    56    35.00000  109.50000
   60    55    57    50.00000  109.50000
   47    41    44    65.00000  117.92700
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    42    43    65.00000  137.10300
   39    42    51    65.00000  122.18000
   42    39    40    40.00000  120.50800
   42    51    52    45.00000  110.52000
   42    51    53    45.00000  110.52000
   42    51    54    45.00000  110.52000
   51    42    43    85.00000  112.85300
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    62   0.30250  1.0 1.0
   29    33    38    62  -0.14950 -1.0 2.0
   29    33    38    62   0.36900  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    41    44   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    62    57   0.46850  1.0 1.0
   33    38    62    57   0.08550 -1.0 2.0
   33    38    62    57   0.09800  1.0 3.0
   33    38    62    63   0.46850  1.0 1.0
   33    38    62    63   0.08550 -1.0 2.0
   33    38    62    63   0.09800  1.0 3.0
   33    38    62    67   0.46850  1.0 1.0
   33    38    62    67   0.08550 -1.0 2.0
   33    38    62    67   0.09800  1.0 3.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    51   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    62   0.34800  1.0 3.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    42   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    42  -0.28300  1.0 1.0
   38    33    39    42   0.26700 -1.0 2.0
   38    33    39    42  -0.63300  1.0 3.0
   38    41    44    45   0.00000  1.0 1.0
   38    41    44    46   0.00000  1.0 1.0
   38    41    44    55   0.09850  1.0 1.0
   38    41    44    55   0.15250 -1.0 2.0
   38    41    44    55  -0.50650  1.0 3.0
   38    41    47    48   0.00000  1.0 1.0
   38    41    47    49   0.00000  1.0 1.0
   38    41    47    50   0.00000  1.0 1.0
   38    62    63    64   0.15000  1.0 3.0
   38    62    63    65   0.15000  1.0 3.0
   38    62    63    66   0.15000  1.0 3.0
   38    62    67    68   0.15000  1.0 3.0
   38    62    67    69   0.15000  1.0 3.0
   38    62    67    70   0.15000  1.0 3.0
   41    38    62    57   0.09850  1.0 1.0
   41    38    62    57   0.15250 -1.0 2.0
   41    38    62    57  -0.50650  1.0 3.0
   41    38    62    63   0.09850  1.0 1.0
   41    38    62    63   0.15250 -1.0 2.0
   41    38    62    63  -0.50650  1.0 3.0
   41    38    62    67   0.09850  1.0 1.0
   41    38    62    67   0.15250 -1.0 2.0
   41    38    62    67  -0.50650  1.0 3.0
   41    44    55    56   0.15000  1.0 3.0
   41    44   -55    57   0.34400  1.0 1.0
   41    44   -55    57   0.09450 -1.0 2.0
   41    44   -55    57   0.11100  1.0 3.0
   41    44    55    60   1.05650  1.0 1.0
   41    44    55    60   0.15600 -1.0 2.0
   41    44    55    60   0.53150  1.0 3.0
   44    41    47    48   0.34800  1.0 3.0
   44    41    47    49   0.34800  1.0 3.0
   44    41    47    50   0.34800  1.0 3.0
   44    55    57    58   0.15000  1.0 3.0
   44    55    57    59   0.15000  1.0 3.0
   44    55    57    62   0.56750  1.0 1.0
   44    55    57    62  -0.07550 -1.0 2.0
   44    55    57    62   0.20000  1.0 3.0
   44    55    60    61  -0.11600  1.0 1.0
   44    55    60    61  -0.09450 -1.0 2.0
   44    55    60    61   0.21250  1.0 3.0
   45    44    55    56   0.15000  1.0 3.0
   45    44    55    57   0.15000  1.0 3.0
   45    44    55    60   0.23400  1.0 3.0
   46    44    55    56   0.15000  1.0 3.0
   46    44    55    57   0.15000  1.0 3.0
   46    44    55    60   0.23400  1.0 3.0
   55    57   -62    38   0.34400  1.0 1.0
   55    57   -62    38   0.09450 -1.0 2.0
   55    57   -62    38   0.11100  1.0 3.0
   55    57    62    63   0.56750  1.0 1.0
   55    57    62    63  -0.07550 -1.0 2.0
   55    57    62    63   0.20000  1.0 3.0
   55    57    62    67   0.56750  1.0 1.0
   55    57    62    67  -0.07550 -1.0 2.0
   55    57    62    67   0.20000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    62   0.15000  1.0 3.0
   56    55    60    61   0.19450  1.0 3.0
   57    55    60    61  -0.11600  1.0 1.0
   57    55    60    61  -0.09450 -1.0 2.0
   57    55    60    61   0.21250  1.0 3.0
   57    62    63    64   0.15000  1.0 3.0
   57    62    63    65   0.15000  1.0 3.0
   57    62    63    66   0.15000  1.0 3.0
   57    62    67    68   0.15000  1.0 3.0
   57    62    67    69   0.15000  1.0 3.0
   57    62    67    70   0.15000  1.0 3.0
   58    57    62    38   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    67   0.15000  1.0 3.0
   59    57    62    38   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    67   0.15000  1.0 3.0
   62    38   -41    44   7.00000 -1.0 2.0
   62    38    41    47   7.00000 -1.0 2.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   67    62    63    64   0.15000  1.0 3.0
   67    62    63    65   0.15000  1.0 3.0
   67    62    63    66   0.15000  1.0 3.0
   60    55    57    58   0.23400  1.0 3.0
   60    55    57    59   0.23400  1.0 3.0
   60    55    57    62   0.86500  1.0 1.0
   60    55    57    62  -0.17500 -1.0 2.0
   60    55    57    62   0.20800  1.0 3.0
   47    41    44    45   0.34800  1.0 3.0
   47    41    44    46   0.34800  1.0 3.0
   47    41    44    55   0.46850  1.0 1.0
   47    41    44    55   0.08550 -1.0 2.0
   47    41    44    55   0.09800  1.0 3.0
   39    33    38    41  -0.28300  1.0 1.0
   39    33    38    41   0.26700 -1.0 2.0
   39    33    38    41  -0.63300  1.0 3.0
   39    33    38    62   0.09700  1.0 1.0
   39    33    38    62   0.15600 -1.0 2.0
   39    33    38    62  -0.50800  1.0 3.0
   39    42    51    52   0.00000  1.0 1.0
   39    42    51    53   0.00000  1.0 1.0
   39    42    51    54   0.00000  1.0 1.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    51   7.00000 -1.0 2.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    53   0.00000  1.0 1.0
   43    42    51    54   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    62    38    41   1.10000 -1.0 2.0
   44    47    41    38   1.10000 -1.0 2.0
   33    40    39    42  15.00000 -1.0 2.0
   51    43    42    39  15.00000 -1.0 2.0
END
