* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    133    214     397
    1     0 S   NP   _N1_     1    28.68674    94.65230   -23.05135
    2     1 S   H    _HN1     2     1.02776   104.26701   -82.26537
    3     1 S   H    _H1_     3     1.02960    82.15464    24.77163
    4     1 S   H    _H2_     4     1.02833    28.30251   176.33136
    5     1 S   CT   _CA1     5     1.50158   134.04629   135.53575
    6     5 S   HC   _HA1     6     1.09581   105.15904    78.43338
    7     5 S   CO3  _C1_     7     1.53746   112.44399   -41.59241
    8     7 S   O2Z  _O11     8     1.26356   114.97883   -41.56983
    9     7 S   O2Z  _O12     9     1.26242   114.91135   137.39377
   10     5 S   CT   _CB1    10     1.53079   107.38603  -163.76334
   11    10 S   HC   HB11    11     1.09828   109.11615   -51.11762
   12    10 S   HC   HB12    12     1.09814   110.47992    65.36402
   13    10 S   CT   _CG1    13     1.53031   112.79173  -172.26033
   14    13 S   HC   HG11    14     1.09592   110.47151   -67.58467
   15    13 S   HC   HG12    15     1.09667   109.91537    51.64432
   16    13 S   C    _CD1    16     1.51855   112.29999   171.82264
   17    16 S   O    _OE1    17     1.22735   123.24726     1.39437
   18    16 S   N    _N2_    18     1.38660   111.70818  -178.09464
   19    18 S   H    _HN2    19     1.01578   119.01832     0.23573
   20    18 S   CT1  _CA2    20     1.46158   123.33087   177.61468
   21    20 S   HC   _HA2    21     1.09750   109.36588    -1.42697
   22    20 S   C    _C2_    22     1.53580   108.63006  -116.84488
   23    22 S   O    _O2_    23     1.23055   122.11385  -146.72794
   24    20 S   CT   _CB2    32     1.53507   111.83151   120.59969
   25    24 S   HC   HB21    33     1.09479   109.71892    55.74348
   26    24 S   HC   HB22    34     1.09300   109.31100   174.60849
   27    22 S   N    _N3_    24     1.38464   113.62096    40.75803
   28    27 S   H    _HN3    25     1.01488   118.98080    -0.73088
   29    24 S   S    _SG2    35     1.82785   111.35235   -65.19438
   30    27 S   CT   _CA3    26     1.45456   123.52208   174.98761
   31    30 S   HC   HA31    27     1.09516   109.36145    22.66184
   32    30 S   HC   HA32    28     1.09499   107.11141   139.68739
   33    29 S   CT   _C5_    36     1.87412   102.14641  -172.83826
   34    30 S   CO3  _C3_    29     1.52910   112.94180  -100.88591
   35    34 S   O2Z  _O31    30     1.26414   115.32481   -46.57528
   36    34 S   O2Z  _O32    31     1.26341   115.03222   134.29110
   37    33 S   CM   _C11    37     1.53008   106.47320  -174.05050
   38    33 S   CT   _C6_    58     1.55467   111.02852    61.90857
   39    38 S   HC   _H10    59     1.09931   108.73208   -74.09531
   40    38 S   HC   _H11    60     1.10036   109.26316   174.33566
   41    33 S   CT   _C4_    68     1.54798   109.25795   -55.77258
   42    41 S   HC   _H7_    69     1.09600   112.04964    72.85810
   43    41 S   HC   _H8_    70     1.09490   113.12449   -47.86407
   44    41 S   HC   _H9_    71     1.09731   110.64320  -168.61903
   45    37 S   CMA  _C12    38     1.35703   127.77666    69.14065
   46    45 S   OM   _O34    39     1.25541   137.54917    -0.56023
   47    45 S   CM   _C13    40     1.44914   108.99003   179.53564
   48    47 S   HC   _H12    41     1.08201   124.73011  -177.76340
   49    47 S   CM   _C14    42     1.34018   110.69367     0.13417
   50    37 S   CT   _C10    43     1.53182   123.09730  -110.97073
   51    50 S   HC   _H6_    44     1.09769   109.55928   -65.66217
   52    49 S   CT   _C15    63     1.48803   125.60060  -175.62368
   53    52 S   HC   _H13    64     1.09534   111.10043     9.81957
   54    52 S   HC   _H14    65     1.09314   111.25129  -110.28983
   55    50 S   CT   _C9_    45     1.53627   110.80780    57.09230
   56    55 S   HC   _H5_    46     1.09999   110.26635    36.16867
   57    52 S   OH   _O33    66     1.42072   109.57480   129.04758
   58    57 S   HO   _H15    67     0.97208   106.92834   178.79066
   59    55 S   CT   _C8_    47     1.52388   112.05571   -89.00114
   60    59 S   HC   _H4_    48     1.10110   109.84276   -50.25161
   61    59 S   CM   _C17    49     1.49741    98.27147  -160.04768
   62    59 S   CT   _C7_    56     1.52702   115.71689    73.02683
   63    62 S   HC   _H3_    57     1.09394   110.85810    68.88968
   64    61 S   CO4  _C16    50     1.48052   106.94151    31.47828
   65    64 S   O    _O36    51     1.21686   127.43940   165.27794
   66    61 S   CM   _C18    53     1.33537   131.73636  -146.15736
   67    66 S   HC   _H16    54     1.08388   121.52883    -1.34697
   68    66 S   HC   _H17    55     1.08541   121.50769   178.67057
   69    62 S   OH   _O37    61     1.43781   106.93856  -175.43589
   70    69 S   HO   _H18    62     0.97279   107.49231  -172.57434
   71    55 S   OS   _O35    52     1.44041   112.80195   154.89398
  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  12   5   4   3
  19   2   1   1  20  16   6   5   6   2   1   1   8   4   9   3
  11  13   5   5   3   2  11   6   1   1  12   7   9   6   2   5
   2   3   1   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    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    45    50    62    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    45    46    47    49    50    51    55    59    62    63    38    39    40    69    41    42    43    44  
   35    36  
   36  
    0  
   45    46    47    48    49    50    51    55    56    59    71    62    38    39    40    52    41    42    43    44  
   39    40    69    70    41    42    43    44    45    50    55    59    60    61    62    63  
   40    69    41    59    62    63  
   69    41    59    62    63  
   42    43    44    45    50    62  
   43    44  
   44  
    0  
   46    47    48    49    50    51    55    52  
   47    48    49    50  
   48    49    50    51    55    52    53    54    57  
   49    50    52  
   50    51    55    56    59    71    52    53    54    57    58  
   51    55    56    59    60    61    64    71    62    52    53    54    57  
   55    56    59    71    52  
   53    54    57    58    55  
   54    57    58  
   57    58  
   56    59    60    61    64    65    71    66    62    63    69  
   59    60    61    64    71    62  
   58  
    0  
   60    61    64    65    71    66    67    68    62    63    69    70  
   61    64    71    66    62    63    69  
   64    65    71    66    67    68    62    63    69  
   63    69    70    64    66    71  
   69    70  
   65    71    66    67    68  
   71    66  
   67    68    71  
   68  
    0  
   70  
    0  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   317.000  1.510
   33    38   268.000  1.529
   33    41   268.000  1.529
   37    45   465.000  1.376
   37    50   317.000  1.510
   45    46   745.000  1.250
   45    47   465.000  1.376
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    71   320.000  1.410
   59    60   340.000  1.090
   59    61   317.000  1.510
   59    62   268.000  1.529
   61    64   320.000  1.462
   61    66   549.000  1.340
   64    65   570.000  1.229
   64    71   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   62    63   340.000  1.090
   62    38   268.000  1.529
   62    69   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   69    70   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   320.000  1.410
   57    58   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    45    70.00000  124.00000
   33    37    50    65.00000  117.92700
   33    38    62    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    65.00000  137.10300
   37    45    47    70.00000  123.01800
   37    50    49    70.00000  110.12100
   37    50    51    35.00000  109.50000
   37    50    55    70.00000  112.02700
   45    47    48    40.00000  120.50800
   45    47    49    70.00000  117.34000
   47    45    46    65.00000  137.10300
   47    49    50    70.00000  124.00000
   47    49    52    70.00000  124.00000
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    55    70.00000  112.02700
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    57    90.00000  110.39200
   50    37    45    70.00000  124.00000
   50    55    56    37.50000  110.70000
   50    55    59    58.35000  112.70000
   50    55    71    50.00000  109.50000
   55    50    51    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    70.00000  112.02700
   55    59    62    58.35000  112.70000
   55    71    64    83.00000  116.90000
   59    55    56    37.50000  110.70000
   59    61    64    65.00000  116.34900
   59    61    66    70.00000  124.00000
   59    62    63    37.50000  110.70000
   59    62    38    58.35000  112.70000
   59    62    69    50.00000  109.50000
   61    59    60    35.00000  109.50000
   61    64    65    80.00000  123.72100
   61    64    71    90.00000  111.29400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   71    55    56    35.00000  109.50000
   71    55    59    50.00000  109.50000
   71    64    65    83.00000  123.40000
   66    61    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   62    59    60    37.50000  110.70000
   62    59    61    70.00000  112.02700
   62    38    39    37.50000  110.70000
   62    38    40    37.50000  110.70000
   62    69    70    55.00000  108.50000
   38    33    37    70.00000  112.02700
   38    62    63    37.50000  110.70000
   40    38    39    33.00000  107.80000
   69    62    63    35.00000  109.50000
   69    62    38    50.00000  109.50000
   52    49    50    65.00000  117.92700
   52    57    58    55.00000  108.50000
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   41    33    37    70.00000  112.02700
   41    33    38    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    37    50   0.30250  1.0 1.0
   29    33    37    50  -0.14950 -1.0 2.0
   29    33    37    50   0.36900  1.0 3.0
   29    33    38    62   0.44750  1.0 1.0
   29    33    38    62  -0.17800 -1.0 2.0
   29    33    38    62   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    47   7.00000 -1.0 2.0
   33    37    50    49   0.09700  1.0 1.0
   33    37    50    49   0.15600 -1.0 2.0
   33    37    50    49  -0.50800  1.0 3.0
   33    37    50    51   0.34800  1.0 3.0
   33    37    50    55   0.46850  1.0 1.0
   33    37    50    55   0.08550 -1.0 2.0
   33    37    50    55   0.09800  1.0 3.0
   37    33    38    62   0.34400  1.0 1.0
   37    33    38    62   0.09450 -1.0 2.0
   37    33    38    62   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    47    48   7.00000 -1.0 2.0
   37    45   -47    49   7.00000 -1.0 2.0
   37    50    55    56   0.15000  1.0 3.0
   37    50    55    59   0.34400  1.0 1.0
   37    50    55    59   0.09450 -1.0 2.0
   37    50    55    59   0.11100  1.0 3.0
   37    50    55    71   0.61850  1.0 1.0
   37    50    55    71  -0.22750 -1.0 2.0
   37    50    55    71   0.15300  1.0 3.0
   45    37   -50    49  -0.28300  1.0 1.0
   45    37   -50    49   0.26700 -1.0 2.0
   45    37   -50    49  -0.63300  1.0 3.0
   45    37    50    51   0.00000  1.0 1.0
   45    37    50    55   0.09850  1.0 1.0
   45    37    50    55   0.15250 -1.0 2.0
   45    37    50    55  -0.50650  1.0 3.0
   45    47   -49    50   7.00000 -1.0 2.0
   45    47    49    52   7.00000 -1.0 2.0
   46    45    47    48   7.00000 -1.0 2.0
   46    45    47    49   7.00000 -1.0 2.0
   47    49   -50    37  -0.28300  1.0 1.0
   47    49   -50    37   0.26700 -1.0 2.0
   47    49   -50    37  -0.63300  1.0 3.0
   47    49    50    51   0.00000  1.0 1.0
   47    49    50    55   0.09850  1.0 1.0
   47    49    50    55   0.15250 -1.0 2.0
   47    49    50    55  -0.50650  1.0 3.0
   47    49    52    53   0.00000  1.0 1.0
   47    49    52    54   0.00000  1.0 1.0
   47    49    52    57   0.67800  1.0 1.0
   47    49    52    57   0.47050 -1.0 2.0
   47    49    52    57  -0.62500  1.0 3.0
   48    47    49    50   7.00000 -1.0 2.0
   48    47    49    52   7.00000 -1.0 2.0
   49    50    55    56   0.15000  1.0 3.0
   49    50    55    59   0.34400  1.0 1.0
   49    50    55    59   0.09450 -1.0 2.0
   49    50    55    59   0.11100  1.0 3.0
   49    50    55    71   0.61850  1.0 1.0
   49    50    55    71  -0.22750 -1.0 2.0
   49    50    55    71   0.15300  1.0 3.0
   49    52    57    58  -0.07800  1.0 1.0
   49    52    57    58  -0.21500 -1.0 2.0
   49    52    57    58  -0.03150  1.0 3.0
   50    37    45    46   7.00000 -1.0 2.0
   50    37   -45    47   7.00000 -1.0 2.0
   50    49    52    53   0.34800  1.0 3.0
   50    49    52    54   0.34800  1.0 3.0
   50    49    52    57   0.18000  1.0 1.0
   50    49    52    57   0.16450 -1.0 2.0
   50    49    52    57   0.04450  1.0 3.0
   50    55    59    60   0.15000  1.0 3.0
   50    55    59    61   0.34400  1.0 1.0
   50    55    59    61   0.09450 -1.0 2.0
   50    55    59    61   0.11100  1.0 3.0
   50    55    59    62   0.56750  1.0 1.0
   50    55    59    62  -0.07550 -1.0 2.0
   50    55    59    62   0.20000  1.0 3.0
   50    55    71    64  -0.25900  1.0 1.0
   50    55    71    64  -0.47000 -1.0 2.0
   50    55    71    64   0.11750  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   51    50    55    71   0.23400  1.0 3.0
   55    59   -61    64   0.09700  1.0 1.0
   55    59   -61    64   0.15600 -1.0 2.0
   55    59   -61    64  -0.50800  1.0 3.0
   55    59    61    66   0.09850  1.0 1.0
   55    59    61    66   0.15250 -1.0 2.0
   55    59    61    66  -0.50650  1.0 3.0
   55    59    62    63   0.15000  1.0 3.0
   55    59    62    38   0.56750  1.0 1.0
   55    59    62    38  -0.07550 -1.0 2.0
   55    59    62    38   0.20000  1.0 3.0
   55    59    62    69   0.86500  1.0 1.0
   55    59    62    69  -0.17500 -1.0 2.0
   55    59    62    69   0.20800  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    62   0.15000  1.0 3.0
   56    55    71    64   0.08050  1.0 3.0
   59    55   -71    64  -0.25900  1.0 1.0
   59    55   -71    64  -0.47000 -1.0 2.0
   59    55   -71    64   0.11750  1.0 3.0
   59    61    64    65  -0.64400  1.0 1.0
   59    61    64    65   0.26850 -1.0 2.0
   59    61   -64    71  -0.15000  1.0 1.0
   59    61   -64    71   0.89550 -1.0 2.0
   59    61   -64    71  -0.06900  1.0 3.0
   59    61    66    67   7.00000 -1.0 2.0
   59    61    66    68   7.00000 -1.0 2.0
   59    62    38    33   0.56750  1.0 1.0
   59    62    38    33  -0.07550 -1.0 2.0
   59    62    38    33   0.20000  1.0 3.0
   59    62    38    39   0.15000  1.0 3.0
   59    62    38    40   0.15000  1.0 3.0
   59    62    69    70  -0.11600  1.0 1.0
   59    62    69    70  -0.09450 -1.0 2.0
   59    62    69    70   0.21250  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    66   0.00000  1.0 1.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    38   0.15000  1.0 3.0
   60    59    62    69   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    38   0.34400  1.0 1.0
   61    59    62    38   0.09450 -1.0 2.0
   61    59    62    38   0.11100  1.0 3.0
   61    59    62    69   1.05650  1.0 1.0
   61    59    62    69   0.15600 -1.0 2.0
   61    59    62    69   0.53150  1.0 3.0
   61    64   -71    55   2.00000 -1.0 2.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   65    64    71    55   3.00000 -1.0 2.0
   71    55    59    60   0.23400  1.0 3.0
   71    55   -59    61   0.61850  1.0 1.0
   71    55   -59    61  -0.22750 -1.0 2.0
   71    55   -59    61   0.15300  1.0 3.0
   71    55    59    62   0.62750  1.0 1.0
   71    55    59    62  -0.30950 -1.0 2.0
   71    55    59    62   0.27300  1.0 3.0
   66    61    64    65   1.00000 -1.0 2.0
   66    61    64    71  -0.56150  1.0 1.0
   66    61    64    71   2.19150 -1.0 2.0
   62    59    61    64   0.09700  1.0 1.0
   62    59    61    64   0.15600 -1.0 2.0
   62    59    61    64  -0.50800  1.0 3.0
   62    59    61    66   0.09850  1.0 1.0
   62    59    61    66   0.15250 -1.0 2.0
   62    59    61    66  -0.50650  1.0 3.0
   63    62    38    33   0.15000  1.0 3.0
   63    62    38    39   0.15000  1.0 3.0
   63    62    38    40   0.15000  1.0 3.0
   63    62    69    70   0.19450  1.0 3.0
   38    33    37    45   0.09850  1.0 1.0
   38    33    37    45   0.15250 -1.0 2.0
   38    33    37    45  -0.50650  1.0 3.0
   38    33    37    50   0.46850  1.0 1.0
   38    33    37    50   0.08550 -1.0 2.0
   38    33    37    50   0.09800  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    44   0.15000  1.0 3.0
   38    62    69    70  -0.11600  1.0 1.0
   38    62    69    70  -0.09450 -1.0 2.0
   38    62    69    70   0.21250  1.0 3.0
   69    62    38    33   0.86500  1.0 1.0
   69    62    38    33  -0.17500 -1.0 2.0
   69    62    38    33   0.20800  1.0 3.0
   69    62    38    39   0.23400  1.0 3.0
   69    62    38    40   0.23400  1.0 3.0
   52    49    50    37   0.09700  1.0 1.0
   52    49    50    37   0.15600 -1.0 2.0
   52    49    50    37  -0.50800  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    55   0.46850  1.0 1.0
   52    49    50    55   0.08550 -1.0 2.0
   52    49    50    55   0.09800  1.0 3.0
   53    52    57    58   0.19450  1.0 3.0
   54    52    57    58   0.19450  1.0 3.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    37    50   0.46850  1.0 1.0
   41    33    37    50   0.08550 -1.0 2.0
   41    33    37    50   0.09800  1.0 3.0
   41    33    38    62   0.56750  1.0 1.0
   41    33    38    62  -0.07550 -1.0 2.0
   41    33    38    62   0.20000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  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
   33    50    37    45   1.10000 -1.0 2.0
   47    46    45    37   1.10000 -1.0 2.0
   45    48    47    49   1.10000 -1.0 2.0
   50    52    49    47   1.10000 -1.0 2.0
   59    64    61    66   1.10000 -1.0 2.0
   61    71    64    65  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
END
