* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    125    187     367
    1     0 S   NP   _N1_     1    29.17234    96.17267   -18.72295
    2     1 S   H    _HN1     2     1.02779    72.36857   -85.47779
    3     1 S   H    _H1_     3     1.02971    89.49744    23.94129
    4     1 S   H    _H2_     4     1.02836    47.54188   137.80816
    5     1 S   CT   _CA1     5     1.50119   155.56140   169.34416
    6     5 S   HC   _HA1     6     1.09568   105.27769    34.78778
    7     5 S   CO3  _C1_     7     1.53847   112.40557   -85.48957
    8     7 S   O2Z  _O11     8     1.26352   115.03043   -42.23266
    9     7 S   O2Z  _O12     9     1.26240   114.95308   137.05929
   10     5 S   CT   _CB1    10     1.53089   107.40212   152.77702
   11    10 S   HC   HB11    11     1.09819   109.48796   -50.25665
   12    10 S   HC   HB12    12     1.09803   110.26067    66.23188
   13    10 S   CT   _CG1    13     1.53003   112.70624  -171.37258
   14    13 S   HC   HG11    14     1.09542   110.32958   -59.67924
   15    13 S   HC   HG12    15     1.09622   110.15736    59.49426
   16    13 S   C    _CD1    16     1.51789   112.22194   179.85463
   17    16 S   O    _OE1    17     1.22719   123.18525   -10.73541
   18    16 S   N    _N2_    18     1.38591   111.67289   169.52289
   19    18 S   H    _HN2    19     1.01585   119.06866     1.96692
   20    18 S   CT1  _CA2    20     1.46290   123.44670  -177.27351
   21    20 S   HC   _HA2    21     1.09730   109.38949   -12.07591
   22    20 S   C    _C2_    22     1.53383   108.39548  -127.82155
   23    22 S   O    _O2_    23     1.23003   122.29736  -146.17202
   24    20 S   CT   _CB2    32     1.53442   111.12904   109.91067
   25    24 S   HC   HB21    33     1.09550   109.50310    56.01259
   26    24 S   HC   HB22    34     1.09507   110.76197   174.45776
   27    22 S   N    _N3_    24     1.38538   113.36026    41.28129
   28    27 S   H    _HN3    25     1.01520   118.91086    -0.50046
   29    24 S   S    _SG2    35     1.83120   111.34188   -66.27870
   30    27 S   CT   _CA3    26     1.45440   123.38603   175.12983
   31    30 S   HC   HA31    27     1.09528   109.16662    25.78809
   32    30 S   HC   HA32    28     1.09494   107.13824   142.77710
   33    29 S   CT   _C11    36     1.85210   100.17150   139.69149
   34    33 S   HC   _H3_    37     1.08955   105.06223   -42.88197
   35    30 S   CO3  _C3_    29     1.52926   113.16768   -97.64336
   36    35 S   O2Z  _O31    30     1.26400   115.42911   -44.08892
   37    35 S   O2Z  _O32    31     1.26360   114.96892   136.86955
   38    33 S   CM   _C12    38     1.51936   106.62482    71.61280
   39    38 S   HC   _H10    39     1.09091   114.85490    50.96098
   40    33 S   CT   _C10    46     1.59011   114.68071  -160.52678
   41    38 S   CMA  _C13    40     1.35371   129.13564  -126.14011
   42    41 S   OM   _O34    41     1.26283   128.34254   177.54952
   43    40 S   CM   _C5_    47     1.53761   113.48668   -54.26873
   44    40 S   OH   _O35    68     1.44598   106.47558  -171.35312
   45    44 S   HO   _H14    69     0.97119   108.40902   -49.03800
   46    41 S   CT   _C14    42     1.51871   121.33331    -2.68453
   47    46 S   HC   _H11    43     1.09719   110.52063   103.53928
   48    46 S   HC   _H12    44     1.09275   113.52583   -17.28266
   49    46 S   HC   _H13    45     1.09881   111.73999  -135.98360
   50    43 S   CM   _C6_    48     1.34456   122.62245   100.97458
   51    50 S   HC   _H7_    49     1.08524   121.75843   179.83214
   52    43 S   CT   _C4_    64     1.50943   118.99122   -81.79625
   53    52 S   HC   _H4_    65     1.09444   110.89592   -55.67412
   54    52 S   HC   _H5_    66     1.09620   111.87596  -174.50802
   55    52 S   HC   _H6_    67     1.09029   111.80540    65.93516
   56    50 S   CO4  _C7_    50     1.47969   122.37224     0.29208
   57    56 S   O    _O33    51     1.23070   119.32327  -172.86661
   58    56 S   CT   _C8_    52     1.50921   119.41055     6.11651
   59    58 S   HC   _H8_    53     1.09736   107.24930   139.85808
   60    58 S   HC   _H9_    54     1.09267   107.77504  -105.94196
   61    40 S   CT   _C9_    55     1.59720   114.80524    72.45539
   62    61 S   CT   _C15    56     1.56038   110.64581   161.47859
   63    62 S   HC   _H15    57     1.09573   111.54975   -64.98700
   64    62 S   HC   _H16    58     1.09676   111.00308   176.13462
   65    62 S   HC   _H17    59     1.09417   112.51087    56.13936
   66    61 S   CT   _C16    60     1.54724   112.88063    43.50391
   67    66 S   HC   _H18    61     1.09468   111.71547    53.23765
   68    66 S   HC   _H19    62     1.09430   112.04828   -68.45621
   69    66 S   HC   _H20    63     1.09663   110.93332   172.86911
  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   9   5   4   3
  16   7   2   1   1  11   4  23   5   4  14   7   1   3   2   1
   1  11   4   5   2   1   1   7   4  11   4   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    61    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    46    40    43    50    58    61    62    66    52    44    45  
   38    39    41    40    43    61    44  
   36    37  
   37  
    0  
   39    41    42    46    47    48    49    40    43    61    44  
   41    42    46    40  
   43    50    51    56    58    59    60    61    62    63    64    65    66    67    68    69    52    53    54    55    44    45    41  
   42    46    47    48    49  
   46    47    48    49  
   50    51    56    57    58    61    62    66    52    53    54    55    44    45  
   45    50    52    58    61    62    66  
   61  
   47    48    49  
   48    49  
   49  
    0  
   51    56    57    58    59    60    61    52    53    54    55  
   56    57    58    52  
   53    54    55    56    61  
   54    55  
   55  
    0  
   57    58    59    60    61    62    66  
   58    59    60    61  
   59    60    61    62    63    64    65    66    67    68    69  
   60    61    62    66  
   61    62    66  
   62    63    64    65    66    67    68    69  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    40   268.000  1.529
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   40    43   317.000  1.510
   40    61   268.000  1.529
   40    44   320.000  1.410
   43    50   549.000  1.340
   43    52   317.000  1.510
   50    51   340.000  1.080
   50    56   320.000  1.462
   56    57   570.000  1.229
   56    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   44    45   553.000  0.945
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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    70.00000  112.02700
   33    40    61    58.35000  112.70000
   33    40    44    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    46    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    46    47    45.00000  110.52000
   41    46    48    45.00000  110.52000
   41    46    49    45.00000  110.52000
   46    41    42    85.00000  112.85300
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    50    70.00000  124.00000
   40    43    52    65.00000  117.92700
   40    61    58    58.35000  112.70000
   40    61    62    58.35000  112.70000
   40    61    66    58.35000  112.70000
   40    44    45    55.00000  108.50000
   43    50    51    35.00000  120.00000
   43    50    56    65.00000  118.96000
   43    52    53    35.00000  109.50000
   43    52    54    35.00000  109.50000
   43    52    55    35.00000  109.50000
   50    56    57    80.00000  123.72100
   50    56    58    65.00000  118.62400
   56    50    51    40.00000  117.72500
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    63.00000  111.10000
   58    56    57    80.00000  120.40000
   58    61    62    58.35000  112.70000
   58    61    66    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    40    43    70.00000  112.02700
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    65    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    61    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   52    43    50    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   44    40    43    90.00000  110.39200
   44    40    61    50.00000  109.50000
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    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   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    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    61   0.44750  1.0 1.0
   29    33    40    61  -0.17800 -1.0 2.0
   29    33    40    61   0.20200  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    46   7.00000 -1.0 2.0
   33    40    43    50   0.09850  1.0 1.0
   33    40    43    50   0.15250 -1.0 2.0
   33    40    43    50  -0.50650  1.0 3.0
   33    40    43    52   0.46850  1.0 1.0
   33    40    43    52   0.08550 -1.0 2.0
   33    40    43    52   0.09800  1.0 3.0
   33    40    61    58   0.56750  1.0 1.0
   33    40    61    58  -0.07550 -1.0 2.0
   33    40    61    58   0.20000  1.0 3.0
   33    40    61    62   0.56750  1.0 1.0
   33    40    61    62  -0.07550 -1.0 2.0
   33    40    61    62   0.20000  1.0 3.0
   33    40    61    66   0.56750  1.0 1.0
   33    40    61    66  -0.07550 -1.0 2.0
   33    40    61    66   0.20000  1.0 3.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    61   0.15000  1.0 3.0
   34    33    40    44   0.23400  1.0 3.0
   38    33    40    43   0.31000  1.0 1.0
   38    33    40    43   0.14700 -1.0 2.0
   38    33    40    43   0.07550  1.0 3.0
   38    33    40    61   0.34400  1.0 1.0
   38    33    40    61   0.09450 -1.0 2.0
   38    33    40    61   0.11100  1.0 3.0
   38    33    40    44   1.05650  1.0 1.0
   38    33    40    44   0.15600 -1.0 2.0
   38    33    40    44   0.53150  1.0 3.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    48   0.00000  1.0 1.0
   38    41    46    49   0.00000  1.0 1.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    46   7.00000 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.00000  1.0 1.0
   42    41    46    49   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.09850  1.0 1.0
   40    33    38    41   0.15250 -1.0 2.0
   40    33    38    41  -0.50650  1.0 3.0
   40    43    50    51   7.00000 -1.0 2.0
   40    43    50    56   7.00000 -1.0 2.0
   40    43    52    53   0.34800  1.0 3.0
   40    43    52    54   0.34800  1.0 3.0
   40    43    52    55   0.34800  1.0 3.0
   40    61    62    63   0.15000  1.0 3.0
   40    61    62    64   0.15000  1.0 3.0
   40    61    62    65   0.15000  1.0 3.0
   40    61    66    67   0.15000  1.0 3.0
   40    61    66    68   0.15000  1.0 3.0
   40    61    66    69   0.15000  1.0 3.0
   43    40    61    58   0.34400  1.0 1.0
   43    40    61    58   0.09450 -1.0 2.0
   43    40    61    58   0.11100  1.0 3.0
   43    40    61    62   0.34400  1.0 1.0
   43    40    61    62   0.09450 -1.0 2.0
   43    40    61    62   0.11100  1.0 3.0
   43    40    61    66   0.34400  1.0 1.0
   43    40    61    66   0.09450 -1.0 2.0
   43    40    61    66   0.11100  1.0 3.0
   43    40    44    45  -0.07800  1.0 1.0
   43    40    44    45  -0.21500 -1.0 2.0
   43    40    44    45  -0.03150  1.0 3.0
   43    50    56    57   1.00000 -1.0 2.0
   43    50   -56    58  -0.33500  1.0 1.0
   43    50   -56    58   1.06600 -1.0 2.0
   43    50   -56    58  -0.14000  1.0 3.0
   50    43    52    53   0.00000  1.0 1.0
   50    43    52    54   0.00000  1.0 1.0
   50    43    52    55   0.00000  1.0 1.0
   50    56    58    59   0.00000  1.0 1.0
   50    56    58    60   0.00000  1.0 1.0
   50    56    58    61   0.65300  1.0 1.0
   50    56    58    61  -0.03850 -1.0 2.0
   50    56    58    61   0.33900  1.0 3.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    58   0.04550  1.0 1.0
   51    50    56    58   0.83000 -1.0 2.0
   51    50    56    58  -0.04000  1.0 3.0
   56    58   -61    40  -0.95700  1.0 1.0
   56    58   -61    40  -0.18200 -1.0 2.0
   56    58   -61    40   0.29450  1.0 3.0
   56    58    61    62  -0.95700  1.0 1.0
   56    58    61    62  -0.18200 -1.0 2.0
   56    58    61    62   0.29450  1.0 3.0
   56    58    61    66  -0.95700  1.0 1.0
   56    58    61    66  -0.18200 -1.0 2.0
   56    58    61    66   0.29450  1.0 3.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    60   0.00000  1.0 1.0
   57    56    58    61   0.30150 -1.0 2.0
   58    61    62    63   0.15000  1.0 3.0
   58    61    62    64   0.15000  1.0 3.0
   58    61    62    65   0.15000  1.0 3.0
   58    61    66    67   0.15000  1.0 3.0
   58    61    66    68   0.15000  1.0 3.0
   58    61    66    69   0.15000  1.0 3.0
   59    58    61    40   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    66   0.15000  1.0 3.0
   60    58    61    40   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    66   0.15000  1.0 3.0
   61    40   -43    50   0.09850  1.0 1.0
   61    40   -43    50   0.15250 -1.0 2.0
   61    40   -43    50  -0.50650  1.0 3.0
   61    40    43    52   0.46850  1.0 1.0
   61    40    43    52   0.08550 -1.0 2.0
   61    40    43    52   0.09800  1.0 3.0
   61    40    44    45  -0.11600  1.0 1.0
   61    40    44    45  -0.09450 -1.0 2.0
   61    40    44    45   0.21250  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    69   0.15000  1.0 3.0
   66    61    62    63   0.15000  1.0 3.0
   66    61    62    64   0.15000  1.0 3.0
   66    61    62    65   0.15000  1.0 3.0
   52    43    50    51   7.00000 -1.0 2.0
   52    43    50    56   7.00000 -1.0 2.0
   44    40    43    50   0.67800  1.0 1.0
   44    40    43    50   0.47050 -1.0 2.0
   44    40    43    50  -0.62500  1.0 3.0
   44    40    43    52   0.18000  1.0 1.0
   44    40    43    52   0.16450 -1.0 2.0
   44    40    43    52   0.04450  1.0 3.0
   44    40    61    58   0.86500  1.0 1.0
   44    40    61    58  -0.17500 -1.0 2.0
   44    40    61    58   0.20800  1.0 3.0
   44    40    61    62   0.86500  1.0 1.0
   44    40    61    62  -0.17500 -1.0 2.0
   44    40    61    62   0.20800  1.0 3.0
   44    40    61    66   0.86500  1.0 1.0
   44    40    61    66  -0.17500 -1.0 2.0
   44    40    61    66   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   46    42    41    38  15.00000 -1.0 2.0
   40    52    43    50   1.10000 -1.0 2.0
   56    51    50    43   1.10000 -1.0 2.0
   50    58    56    57  10.50000 -1.0 2.0
END
