* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    117    188     350
    1     0 S   NP   _N1_     1    28.88037    93.87361   -20.87301
    2     1 S   H    _HN1     2     1.02854    94.74638     8.35583
    3     1 S   H    _H1_     3     1.02974    32.15166   123.66883
    4     1 S   H    _H2_     4     1.02788    84.56759   -99.57298
    5     1 S   CT   _CA1     5     1.50566   141.08974   141.48479
    6     5 S   HC   _HA1     6     1.09677   104.62428    53.84027
    7     5 S   CO3  _C1_     7     1.54472   110.85548   -61.97012
    8     7 S   O2Z  _O11     8     1.26107   116.81653  -122.44722
    9     7 S   O2Z  _O12     9     1.26559   113.74639    56.69187
   10     5 S   CT   _CB1    10     1.53070   106.98576   170.00039
   11    10 S   HC   HB11    11     1.09837   110.05255   -41.21943
   12    10 S   HC   HB12    12     1.09792   110.00897    75.36338
   13    10 S   CT   _CG1    13     1.53109   112.54722  -161.88325
   14    13 S   HC   HG11    14     1.09456   110.88555   -54.11216
   15    13 S   HC   HG12    15     1.09635   109.98889    64.89173
   16    13 S   C    _CD1    16     1.51778   111.85937  -175.06616
   17    16 S   O    _OE1    17     1.22760   123.09465   -10.48122
   18    16 S   N    _N2_    18     1.38602   111.90303   169.86391
   19    18 S   H    _HN2    19     1.01590   119.19139     2.05157
   20    18 S   CT1  _CA2    20     1.46264   123.13220  -176.68808
   21    20 S   HC   _HA2    21     1.09722   109.39228    -9.05278
   22    20 S   C    _C2_    22     1.53363   108.72955  -125.00650
   23    22 S   O    _O2_    23     1.23027   122.12602  -146.95560
   24    20 S   CT   _CB2    32     1.53455   111.25024   112.67486
   25    24 S   HC   HB21    33     1.09397   109.39606    60.59731
   26    24 S   HC   HB22    34     1.09526   110.58138   178.45972
   27    22 S   N    _N3_    24     1.38472   113.46512    40.41541
   28    27 S   H    _HN3    25     1.01521   118.91275    -0.65132
   29    24 S   S    _SG2    35     1.83037   111.55667   -62.12399
   30    27 S   CT   _CA3    26     1.45452   123.48814   175.19014
   31    30 S   HC   HA31    27     1.09520   109.29854    23.28602
   32    30 S   HC   HA32    28     1.09498   107.10943   140.28826
   33    29 S   CT   _C10    36     1.83909   100.38123   145.20946
   34    33 S   HC   _H3_    37     1.09703   106.08360    54.03613
   35    30 S   CO3  _C3_    29     1.52916   113.05672  -100.23966
   36    35 S   O2Z  _O31    30     1.26406   115.37386   -45.46701
   37    35 S   O2Z  _O32    31     1.26352   115.00574   135.46034
   38    33 S   CA   _C9_    38     1.52124   112.43220   -65.83733
   39    33 S   CT   _C11    51     1.53946   108.31831   170.18702
   40    39 S   HC   _H7_    52     1.09728   110.92770   -55.11506
   41    39 S   HC   _H8_    53     1.09628   110.44939    64.21707
   42    38 S   CA   _C4_    39     1.40593   119.19658   122.05180
   43    42 S   HA   _H4_    40     1.08787   120.28711    -0.85019
   44    39 S   CO4  _C12    54     1.52022   111.06229  -173.56916
   45    44 S   O    _O33    55     1.22843   122.72538    46.94576
   46    42 S   CA   _C5_    41     1.39591   120.96559   178.90193
   47    46 S   HA   _H5_    42     1.08612   119.38095  -179.95577
   48    44 S   CA   _C13    56     1.48150   118.44888  -130.48348
   49    46 S   CA   _C6_    43     1.39185   119.63596    -0.04846
   50    48 S   CA   _C14    57     1.40008   121.08751   -50.50987
   51    49 S   CA   _C7_    44     1.39201   120.17395    -0.02798
   52    49 S   OH   _O38    49     1.36718   120.43859   179.93439
   53    52 S   HO   _H15    50     0.97193   108.75317     0.59774
   54    50 S   CA   _C15    58     1.39638   120.45734   178.78035
   55    54 S   HA   _H9_    59     1.08648   120.82127  -179.91607
   56    50 S   OH   _O36    68     1.36823   120.07058    -2.61389
   57    56 S   HO   _H13    69     0.97261   108.96877  -179.70459
   58    38 S   CA   _C8_    45     1.40532   122.17418   -59.34699
   59    58 S   HA   _H6_    46     1.08735   120.16627     0.96874
   60    51 S   OH   _O37    47     1.36699   119.04360   179.94766
   61    60 S   HO   _H14    48     0.97607   109.32640  -176.64952
   62    54 S   CA   _C16    60     1.39270   119.43454     0.39366
   63    62 S   CA   _C17    61     1.39299   120.94530     0.44893
   64    63 S   HA   _H10    62     1.08643   120.71978   179.61134
   65    62 S   OH   _O35    66     1.36665   118.07067  -179.90109
   66    65 S   HO   _H12    67     0.97257   108.61006   179.44893
   67    48 S   CA   _C18    63     1.40225   119.65714   129.68822
   68    67 S   OH   _O34    64     1.36922   123.05227     0.74283
   69    68 S   HO   _H11    65     0.97305   109.17432     8.11747
  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
  14   7   2   1   1  13   9   4   3   8   4   8   3   7   3  11
   7   9   6   3   1   9   4   3   1   3   1   1   1   6   6   3
   2   1   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    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    51    58    59    39    40    41    44    45    48  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    51    58    59    60    39    40    41    44  
   40    41    44    45    48    50    67    42    58  
   41    44    45    48  
   44    45    48  
   43    46    47    49    51    58    59    52  
   46    47    49    58  
   45    48    50    54    63    67    68    56  
   48    50    67  
   47    49    51    58    60    52    53  
   49    51    52  
   50    54    55    62    63    64    67    68    69    56    57  
   51    58    59    60    61    52    53  
   54    55    62    63    67    68    65    56    57  
   58    59    60    61    52    53  
   53    58    60  
    0  
   55    62    63    64    67    65    66    56    57  
   62    63    65    56  
   57    62    67  
    0  
   59    60    61  
   60  
   61  
    0  
   63    64    67    68    65    66  
   64    67    68    69    65    66  
   67    68    65  
   66    67  
    0  
   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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   38    42   469.000  1.400
   38    58   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    51   469.000  1.400
   49    52   450.000  1.364
   51    58   469.000  1.400
   51    60   450.000  1.364
   58    59   367.000  1.080
   60    61   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   310.000  1.470
   48    50   469.000  1.400
   48    67   469.000  1.400
   50    54   469.000  1.400
   50    56   450.000  1.364
   54    55   367.000  1.080
   54    62   469.000  1.400
   62    63   469.000  1.400
   62    65   450.000  1.364
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   450.000  1.364
   68    69   553.000  0.945
   65    66   553.000  0.945
   56    57   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    58    51    63.00000  120.00000
   38    58    59    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    51    63.00000  120.00000
   46    49    52    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    51    58    63.00000  120.00000
   49    51    60    70.00000  120.00000
   49    52    53    35.00000  113.00000
   51    58    59    35.00000  120.00000
   51    60    61    35.00000  113.00000
   58    38    42    63.00000  120.00000
   60    51    58    70.00000  120.00000
   52    49    51    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    65.00000  115.47100
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    60.00000  119.52600
   44    48    67    60.00000  119.52600
   48    44    45    75.00000  123.78400
   48    50    54    63.00000  120.00000
   48    50    56    70.00000  120.00000
   48    67    63    63.00000  120.00000
   48    67    68    70.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    62    63.00000  120.00000
   50    56    57    35.00000  113.00000
   54    62    63    63.00000  120.00000
   54    62    65    70.00000  120.00000
   62    54    55    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    67    63.00000  120.00000
   62    65    66    35.00000  113.00000
   63    67    68    70.00000  120.00000
   67    48    50    63.00000  120.00000
   67    63    64    35.00000  120.00000
   67    68    69    35.00000  113.00000
   65    62    63    70.00000  120.00000
   56    50    54    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    58    51   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.05850 -1.0 2.0
   33    39    44    48   0.17250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    58    51   3.62500 -1.0 2.0
   42    38    58    59   3.62500 -1.0 2.0
   42    46   -49    51   3.62500 -1.0 2.0
   42    46    49    52   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    51    58   3.62500 -1.0 2.0
   46    49    51    60   3.62500 -1.0 2.0
   46    49    52    53   0.84100 -1.0 2.0
   47    46    49    51   3.62500 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   49    51   -58    38   3.62500 -1.0 2.0
   49    51    58    59   3.62500 -1.0 2.0
   49    51    60    61   0.84100 -1.0 2.0
   51    49    52    53   0.84100 -1.0 2.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    46   3.62500 -1.0 2.0
   58    51    60    61   0.84100 -1.0 2.0
   60    51    58    38   3.62500 -1.0 2.0
   60    51    58    59   3.62500 -1.0 2.0
   52    49    51    58   3.62500 -1.0 2.0
   52    49    51    60   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    44    48    50   2.26350  1.0 1.0
   39    44    48    50   0.76750 -1.0 2.0
   39    44    48    50   0.22500  1.0 3.0
   39    44    48    67   2.26350  1.0 1.0
   39    44    48    67   0.76750 -1.0 2.0
   39    44    48    67   0.22500  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    54   3.62500 -1.0 2.0
   44    48    50    56   3.62500 -1.0 2.0
   44    48    67    63   3.62500 -1.0 2.0
   44    48    67    68   3.62500 -1.0 2.0
   45    44    48    50   1.05000 -1.0 2.0
   45    44    48    67   1.05000 -1.0 2.0
   48    50    54    55   3.62500 -1.0 2.0
   48    50    54    62   3.62500 -1.0 2.0
   48    50    56    57   0.84100 -1.0 2.0
   48    67    68    69   0.84100 -1.0 2.0
   50    48    67    63   3.62500 -1.0 2.0
   50    48    67    68   3.62500 -1.0 2.0
   50    54   -62    63   3.62500 -1.0 2.0
   50    54    62    65   3.62500 -1.0 2.0
   54    50    56    57   0.84100 -1.0 2.0
   54    62    63    64   3.62500 -1.0 2.0
   54    62    63    67   3.62500 -1.0 2.0
   54    62    65    66   0.84100 -1.0 2.0
   55    54    62    63   3.62500 -1.0 2.0
   55    54    62    65   3.62500 -1.0 2.0
   62    63   -67    48   3.62500 -1.0 2.0
   62    63    67    68   3.62500 -1.0 2.0
   63    62    65    66   0.84100 -1.0 2.0
   63    67    68    69   0.84100 -1.0 2.0
   64    63    67    48   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   67    48   -50    54   3.62500 -1.0 2.0
   67    48    50    56   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    67   3.62500 -1.0 2.0
   56    50    54    55   3.62500 -1.0 2.0
   56    50    54    62   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    58    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   51    52    49    46   4.00000 -1.0 2.0
   58    60    51    49   4.00000 -1.0 2.0
   51    59    58    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   50    67    48    44   4.00000 -1.0 2.0
   54    56    50    48   4.00000 -1.0 2.0
   62    55    54    50   1.10000 -1.0 2.0
   63    65    62    54   4.00000 -1.0 2.0
   67    64    63    62   1.10000 -1.0 2.0
   63    68    67    48   4.00000 -1.0 2.0
END
