* LIGAND DATABASE FILE (OPLS2005)
*
001      66    66    114    175     337
    1     0 S   NP   _N1_     1    29.24748    95.05658   -23.87371
    2     1 S   H    _HN1     2     1.02777   112.30779   -98.33766
    3     1 S   H    _H1_     3     1.02961    79.95946     7.49180
    4     1 S   H    _H2_     4     1.02841    27.64043   175.59611
    5     1 S   CT   _CA1     5     1.50108   127.40366   115.58476
    6     5 S   HC   _HA1     6     1.09574   105.23797    84.60304
    7     5 S   CO3  _C1_     7     1.53781   112.39458   -35.62385
    8     7 S   O2Z  _O11     8     1.26355   114.99508   -43.88295
    9     7 S   O2Z  _O12     9     1.26234   114.91187   135.36075
   10     5 S   CT   _CB1    10     1.53111   107.46068  -157.47012
   11    10 S   HC   HB11    11     1.09825   109.33518   -50.88574
   12    10 S   HC   HB12    12     1.09819   110.41727    65.66388
   13    10 S   CT   _CG1    13     1.53023   112.67137  -171.98795
   14    13 S   HC   HG11    14     1.09594   110.45983   -63.87986
   15    13 S   HC   HG12    15     1.09652   109.96600    55.34123
   16    13 S   C    _CD1    16     1.51800   112.33891   175.71138
   17    16 S   O    _OE1    17     1.22740   123.31893    -1.34668
   18    16 S   N    _N2_    18     1.38618   111.71918   178.80646
   19    18 S   H    _HN2    19     1.01607   119.02109     1.38833
   20    18 S   CT1  _CA2    20     1.45939   123.28615   179.61590
   21    20 S   HC   _HA2    21     1.09452   109.14638    -5.94838
   22    20 S   C    _C2_    22     1.53244   108.14720  -120.47738
   23    22 S   O    _O2_    23     1.22958   122.44108  -135.65387
   24    20 S   CT   _CB2    32     1.53202   111.75393   116.62040
   25    24 S   HC   HB21    33     1.09670   109.59824    55.77201
   26    24 S   HC   HB22    34     1.09513   111.12376   172.69841
   27    22 S   N    _N3_    24     1.38612   112.95638    51.25028
   28    27 S   H    _HN3    25     1.01516   119.01586    -3.41059
   29    24 S   S    _SG2    35     1.83268   114.83383   -64.00240
   30    27 S   CT   _CA3    26     1.45403   123.26070   172.95544
   31    30 S   HC   HA31    27     1.09517   109.95123    21.07435
   32    30 S   HC   HA32    28     1.09508   106.96656   138.03556
   33    29 S   CT   _C14    36     1.81947   101.26047   -61.68160
   34    33 S   Cl   Cl1_    37     1.78358   110.34098  -173.55007
   35    33 S   HC   _H5_    38     1.09170   109.79307    69.51611
   36    30 S   CO3  _C3_    29     1.52873   112.11200  -100.79214
   37    36 S   O2Z  _O31    30     1.26332   115.00766  -107.05461
   38    36 S   O2Z  _O32    31     1.26401   115.36813    72.82328
   39    33 S   C    _C13    39     1.51719   110.88172   -55.20491
   40    39 S   O    _O34    40     1.22963   123.00981   -59.78010
   41    39 S   N    _N4_    41     1.38677   112.50401   119.79084
   42    41 S   H    _H13    42     1.01575   119.86404     2.10096
   43    41 S   CT   _C11    43     1.46588   123.65289  -178.81799
   44    43 S   HC   _H4_    44     1.09715   108.46294     9.07379
   45    43 S   CT   _C12    45     1.53471   108.64620   124.62389
   46    45 S   HC   _H10    46     1.09538   110.44890   -51.72124
   47    45 S   HC   _H11    47     1.09439   111.12215  -171.86301
   48    43 S   CT   _C10    50     1.54748   110.11731  -110.71061
   49    48 S   HC   _H3_    51     1.09759   110.25675   -58.04824
   50    45 S   OH   _O33    48     1.42215   110.18070    68.02584
   51    50 S   HO   _H12    49     0.97731   106.87781  -169.38594
   52    48 S   CA   _C9_    52     1.51688   112.12690    63.19136
   53    48 S   OH   _O35    65     1.42775   110.65396  -175.91342
   54    53 S   HO   _H14    66     0.97274   107.33616    73.88705
   55    52 S   CA   _C4_    53     1.40419   119.89670  -105.99540
   56    55 S   HA   _H6_    54     1.08766   120.29051    -1.32486
   57    55 S   CA   _C5_    55     1.39618   120.81998   178.02970
   58    57 S   HA   _H7_    56     1.08658   118.77650  -179.44964
   59    57 S   CA   _C6_    57     1.39695   119.24933    -0.03956
   60    59 S   CA   _C7_    58     1.39692   120.97833     0.06853
   61    60 S   HA   _H8_    59     1.08653   121.99354   179.83687
   62    59 S   NO2  _N5_    62     1.45881   119.49841  -179.81025
   63    62 S   ON   _O37    63     1.23873   117.70420   -19.33439
   64    62 S   ON   _O36    64     1.23867   117.72738   160.70917
   65    52 S   CA   _C8_    60     1.40434   121.18669    71.94701
   66    65 S   HA   _H9_    61     1.08769   120.18641     1.55922
  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   6   5   4   3
   7   4   3   2   1   1   7   3  11   4  13   8   8   4   3  11
   5   1   1  11   3   1   8   4   8   3   7   6   3   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48  
   41    42    43  
   42    43    44    45    46    47    50    48    49    52    53  
   43    44    45    48  
   44    45    46    47    50    51    48    49    52    55    65    53    54  
   45    46    47    50    48    49    52    53  
   46    47    50    51    48    49    52    53  
   47    50    51    48  
   50    51    48  
   49    52    55    56    57    60    65    66    53    54    50  
   52    55    65    53    54  
   51  
    0  
   55    56    57    58    59    60    61    65    66    53    54  
   54    55    65  
    0  
   56    57    58    59    60    65    66    62  
   57    58    59    65  
   58    59    60    61    65    62    63    64  
   59    60    62  
   60    61    65    66    62    63    64  
   61    65    66    62    63    64  
   65    66    62  
   63    64    65  
   64  
    0  
   66  
    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  -0.175000   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   0.104500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   35   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   42   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   63   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   64   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   245.000  1.781
   33    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   490.000  1.335
   41    42   434.000  1.010
   41    43   337.000  1.449
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    51   553.000  0.945
   48    49   340.000  1.090
   48    52   317.000  1.510
   48    53   320.000  1.410
   52    55   469.000  1.400
   52    65   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   469.000  1.400
   59    62   400.000  1.460
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   367.000  1.080
   62    63   550.000  1.225
   62    64   550.000  1.225
   53    54   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    85.00000  110.65400
   29    33    35    35.00000  109.50000
   29    33    39    70.00000  112.33000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.60000
   35    33    34    51.00000  107.60000
   39    33    34    75.00000  109.32700
   39    33    35    35.00000  109.50000
   39    41    42    35.00000  119.80000
   39    41    43    50.00000  121.90000
   41    39    40    80.00000  122.90000
   41    43    44    35.00000  109.50000
   41    43    45    70.00000  110.72300
   41    43    48    70.00000  110.72300
   43    41    42    38.00000  118.40000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    52    70.00000  112.17500
   43    48    53    50.00000  109.50000
   45    43    44    37.50000  110.70000
   45    50    51    55.00000  108.50000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    52    55    70.00000  120.00000
   48    52    65    70.00000  120.00000
   48    53    54    55.00000  108.50000
   52    48    49    35.00000  109.50000
   52    55    56    35.00000  120.00000
   52    55    57    63.00000  120.00000
   52    65    60    63.00000  120.00000
   52    65    66    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    63.00000  120.00000
   57    59    62    85.00000  120.00000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    65    63.00000  120.00000
   59    62    63    80.00000  117.50000
   59    62    64    80.00000  117.50000
   60    65    66    35.00000  120.00000
   65    52    55    63.00000  120.00000
   65    60    61    35.00000  120.00000
   62    59    60    85.00000  120.00000
   64    62    63    80.00000  125.30000
   53    48    49    35.00000  109.50000
   53    48    52    90.00000  112.51600
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.00000  1.0 1.0
   33    39    41    42   2.45000 -1.0 2.0
   33    39    41    43   1.49850  1.0 1.0
   33    39    41    43   1.53950 -1.0 2.0
   34    33    39    40   0.30150 -1.0 2.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    45  -0.43950  1.0 1.0
   39    41    43    45  -0.08100 -1.0 2.0
   39    41    43    45   0.03350  1.0 3.0
   39    41    43    48  -0.43950  1.0 1.0
   39    41    43    48  -0.08100 -1.0 2.0
   39    41    43    48   0.03350  1.0 3.0
   40    39    41    42   2.45000 -1.0 2.0
   40    39    41    43   3.04450 -1.0 2.0
   41    43    45    46   0.15000  1.0 3.0
   41    43    45    47   0.15000  1.0 3.0
   41    43    45    50   2.76900  1.0 1.0
   41    43    45    50  -0.24350 -1.0 2.0
   41    43    45    50  -0.78250  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    52   0.08550  1.0 1.0
   41    43    48    52   1.07500 -1.0 2.0
   41    43    48    52  -0.10950  1.0 3.0
   41    43    48    53   2.76900  1.0 1.0
   41    43    48    53  -0.24350 -1.0 2.0
   41    43    48    53  -0.78250  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    48   0.00000  1.0 1.0
   43    45    50    51  -0.11600  1.0 1.0
   43    45    50    51  -0.09450 -1.0 2.0
   43    45    50    51   0.21250  1.0 3.0
   43    48    52    55   0.04150 -1.0 2.0
   43    48    52    65   0.04150 -1.0 2.0
   43    48    53    54  -0.11600  1.0 1.0
   43    48    53    54  -0.09450 -1.0 2.0
   43    48    53    54   0.21250  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    52   0.43200  1.0 3.0
   44    43    48    53   0.23400  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    52  -0.03700  1.0 1.0
   45    43    48    52   0.37200 -1.0 2.0
   45    43    48    52  -0.47300  1.0 3.0
   45    43    48    53   0.86500  1.0 1.0
   45    43    48    53  -0.17500 -1.0 2.0
   45    43    48    53   0.20800  1.0 3.0
   46    45    50    51   0.19450  1.0 3.0
   47    45    50    51   0.19450  1.0 3.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.86500  1.0 1.0
   48    43    45    50  -0.17500 -1.0 2.0
   48    43    45    50   0.20800  1.0 3.0
   48    52    55    56   3.62500 -1.0 2.0
   48    52    55    57   3.62500 -1.0 2.0
   48    52    65    60   3.62500 -1.0 2.0
   48    52    65    66   3.62500 -1.0 2.0
   49    48    52    55   0.00000  1.0 1.0
   49    48    52    65   0.00000  1.0 1.0
   49    48    53    54   0.19450  1.0 3.0
   52    48    53    54   0.31900  1.0 1.0
   52    48    53    54  -0.11800 -1.0 2.0
   52    48    53    54   0.38750  1.0 3.0
   52    55    57    58   3.62500 -1.0 2.0
   52    55    57    59   3.62500 -1.0 2.0
   55    52    65    60   3.62500 -1.0 2.0
   55    52    65    66   3.62500 -1.0 2.0
   55    57   -59    60   3.62500 -1.0 2.0
   55    57    59    62   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59    60    61   3.62500 -1.0 2.0
   57    59    60    65   3.62500 -1.0 2.0
   57    59    62    63   0.69950 -1.0 2.0
   57    59    62    64   0.69950 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    62   3.62500 -1.0 2.0
   59    60   -65    52   3.62500 -1.0 2.0
   59    60    65    66   3.62500 -1.0 2.0
   60    59    62    63   0.69950 -1.0 2.0
   60    59    62    64   0.69950 -1.0 2.0
   61    60    65    52   3.62500 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   65    52    55    56   3.62500 -1.0 2.0
   65    52   -55    57   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    65   3.62500 -1.0 2.0
   53    48    52    55   0.14300 -1.0 2.0
   53    48    52    55   0.00300  1.0 3.0
   53    48    52    65   0.14300 -1.0 2.0
   53    48    52    65   0.00300  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
   37    30    36    38  10.50000 -1.0 2.0
   33    41    39    40  10.50000 -1.0 2.0
   42    39    41    43   1.00000 -1.0 2.0
   55    65    52    48   4.00000 -1.0 2.0
   57    56    55    52   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   60    62    59    57   4.00000 -1.0 2.0
   65    61    60    59   1.10000 -1.0 2.0
   60    66    65    52   1.10000 -1.0 2.0
   63    59    62    64  10.50000 -1.0 2.0
END
