* LIGAND DATABASE FILE (OPLS2005)
*
001      66    66    113    176     335
    1     0 S   NP   _N1_     1    29.29551    93.88829   -23.87953
    2     1 S   H    _HN1     2     1.02956    82.69229    22.30492
    3     1 S   H    _H1_     3     1.02831    26.14107  -178.69884
    4     1 S   H    _H2_     4     1.02782   108.04568   -84.66450
    5     1 S   CT   _CA1     5     1.50122   130.06483   132.84378
    6     5 S   HC   _HA1     6     1.09572   105.21935    79.78866
    7     5 S   CO3  _C1_     7     1.53787   112.41827   -40.47080
    8     7 S   O2Z  _O11     8     1.26370   114.99868   -42.89499
    9     7 S   O2Z  _O12     9     1.26235   114.94896   136.23403
   10     5 S   CT   _CB1    10     1.53060   107.40649  -162.22555
   11    10 S   HC   HB11    11     1.09831   109.37610   -49.87581
   12    10 S   HC   HB12    12     1.09821   110.42924    66.71054
   13    10 S   CT   _CG1    13     1.52997   112.63588  -170.89111
   14    13 S   HC   HG11    14     1.09586   110.56153   -64.63653
   15    13 S   HC   HG12    15     1.09663   109.89311    54.63908
   16    13 S   C    _CD1    16     1.51781   112.19974   175.04924
   17    16 S   O    _OE1    17     1.22701   123.14501     3.42325
   18    16 S   N    _N2_    18     1.38600   111.61778  -176.78923
   19    18 S   H    _HN2    19     1.01563   119.02362     0.77405
   20    18 S   CT1  _CA2    20     1.46219   123.40716   178.58556
   21    20 S   HC   _HA2    21     1.09473   109.33044    -9.54431
   22    20 S   C    _C2_    22     1.53495   107.85962  -124.68959
   23    22 S   O    _O2_    23     1.23024   122.55373  -144.93353
   24    20 S   CT   _CB2    32     1.53373   111.72744   113.35521
   25    24 S   HC   HB21    33     1.09682   109.33161    62.43379
   26    24 S   HC   HB22    34     1.09505   110.97140   179.16655
   27    22 S   N    _N3_    24     1.38457   113.35651    41.57706
   28    27 S   H    _HN3    25     1.01612   119.28881    -1.00736
   29    24 S   S    _SG2    35     1.83266   114.88034   -56.61320
   30    27 S   CT   _CA3    26     1.45258   123.23679   177.35714
   31    30 S   HC   HA31    27     1.09542   107.23390   -73.02866
   32    30 S   HC   HA32    28     1.09559   108.34259    43.46673
   33    29 S   CT   _C10    36     1.84509   100.77025   -68.39708
   34    33 S   HC   _H3_    37     1.09026   104.96565    51.22921
   35    30 S   CO3  _C3_    29     1.52956   114.18140   165.80221
   36    35 S   O2Z  _O31    30     1.26366   116.18164     1.88834
   37    35 S   O2Z  _O32    31     1.26467   114.39003  -177.93351
   38    33 S   CA   _C9_    38     1.52141   110.92911   166.84742
   39    33 S   CM   _C11    50     1.51034   109.84470   -68.69592
   40    39 S   HC   _H9_    51     1.09197   115.09094   -51.37584
   41    38 S   CA   _C4_    39     1.40560   119.37434  -119.47696
   42    41 S   HA   _H5_    40     1.08824   120.36488     0.06561
   43    39 S   CMA  _C12    52     1.35585   128.19874   127.97565
   44    43 S   OM   _O37    53     1.26160   126.63207  -178.84394
   45    41 S   CA   _C5_    41     1.39585   120.81731  -179.62991
   46    45 S   HA   _H6_    42     1.08611   119.77125   179.94065
   47    43 S   NE   _N4_    54     1.39487   120.76044     1.34843
   48    47 S   H    _H10    55     1.01463   115.79932     3.43399
   49    45 S   CA   _C6_    43     1.39065   119.62498     0.17017
   50    47 S   CT1  _C13    56     1.46032   131.26402   175.93110
   51    50 S   HC   _H4_    57     1.09783   110.36919    31.14218
   52    49 S   CA   _C7_    44     1.39203   120.71571     0.16902
   53    52 S   HA   _H7_    45     1.08587   121.01343   179.74359
   54    49 S   OH   _O38    48     1.36637   118.23667  -179.95577
   55    54 S   HO   _H13    49     0.97222   108.46808  -179.60683
   56    50 S   CO3  _C16    58     1.54666   110.20671   146.04214
   57    56 S   O2Z  _O36    59     1.26716   115.18640   163.55764
   58    56 S   O2Z  _O35    60     1.26550   116.53884   -18.52264
   59    50 S   CT   _C14    61     1.52998   110.12262   -89.00080
   60    59 S   HC   _H11    62     1.09826   108.92972   173.90597
   61    59 S   HC   _H12    63     1.09818   109.11756    58.54298
   62    38 S   CA   _C8_    46     1.40605   122.14768    61.46891
   63    62 S   HA   _H8_    47     1.08738   120.44489    -0.29208
   64    59 S   CO3  _C15    64     1.53570   118.95480   -63.48348
   65    64 S   O2Z  _O34    65     1.26714   113.92656  -173.26146
   66    64 S   O2Z  _O33    66     1.26135   117.17627     7.10161
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   8   3   8   4   7   3   7   3  10   4
   6  10   7   5   3   2   1   6   2   1   5   4   3   1   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    41    62    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    52    62    63    39    40    43    44    47  
   38    41    62    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    49    52    53    62    63    39    40    43  
   40    43    44    47    48    50    41    62  
   43    44    47  
   42    45    46    49    52    62    63    54  
   45    46    49    62  
   44    47    48    50    51    56    59  
   47    48    50  
   46    49    52    53    62    54    55  
   49    52    54  
   48    50    51    56    57    58    59    60    61    64  
   50    51    56    59  
   52    53    62    63    54    55  
   51    56    57    58    59    60    61    64    65    66  
   56    57    58    59    60    61    64  
   53    62    63    54    55  
   62    63    54  
   55    62  
    0  
   57    58    59    60    61    64  
   58    59  
   59  
   60    61    64    65    66  
   61    64    65    66  
   64    65    66  
   63  
    0  
   65    66  
   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  -0.335000   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.998700   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    62   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    62   469.000  1.400
   62    63   367.000  1.080
   54    55   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   415.000  1.382
   47    48   434.000  1.010
   47    50   382.000  1.448
   50    51   340.000  1.090
   50    56   317.000  1.522
   50    59   268.000  1.529
   56    57   656.000  1.250
   56    58   656.000  1.250
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   317.000  1.522
   64    65   656.000  1.250
   64    66   656.000  1.250
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  112.20000
   33    38    41    70.00000  120.00000
   33    38    62    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    62    52    63.00000  120.00000
   38    62    63    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    49    52    63.00000  120.00000
   45    49    54    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    62    63.00000  120.00000
   49    54    55    35.00000  113.00000
   52    62    63    35.00000  120.00000
   62    38    41    63.00000  120.00000
   62    52    53    35.00000  120.00000
   54    49    52    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    47    48    50.00000  121.48000
   43    47    50    50.00000  121.00000
   47    43    44   105.00000  113.92000
   47    50    51    35.00000  109.50000
   47    50    56    63.00000  110.10000
   47    50    59    80.00000  111.61500
   50    47    48    35.00000  112.50000
   50    56    57    70.00000  117.00000
   50    56    58    70.00000  117.00000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    64    63.00000  111.10000
   56    50    51    35.00000  109.50000
   58    56    57    80.00000  126.00000
   59    50    51    37.50000  110.70000
   59    50    56    63.00000  111.10000
   59    64    65    70.00000  117.00000
   59    64    66    70.00000  117.00000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   66    64    65    80.00000  126.00000
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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    62  -0.16000  1.0 1.0
   29    33    38    62  -0.03200 -1.0 2.0
   29    33    38    62   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    62    52   3.62500 -1.0 2.0
   33    38    62    63   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    62   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    49   3.62500 -1.0 2.0
   41    38    62    52   3.62500 -1.0 2.0
   41    38    62    63   3.62500 -1.0 2.0
   41    45   -49    52   3.62500 -1.0 2.0
   41    45    49    54   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49    52    62   3.62500 -1.0 2.0
   45    49    54    55   0.84100 -1.0 2.0
   46    45    49    52   3.62500 -1.0 2.0
   46    45    49    54   3.62500 -1.0 2.0
   49    52   -62    38   3.62500 -1.0 2.0
   49    52    62    63   3.62500 -1.0 2.0
   52    49    54    55   0.84100 -1.0 2.0
   53    52    62    38   3.62500 -1.0 2.0
   53    52    62    63   3.62500 -1.0 2.0
   62    38    41    42   3.62500 -1.0 2.0
   62    38   -41    45   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    62   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    62   0.18050 -1.0 2.0
   39    43    47    48   1.00000 -1.0 2.0
   39    43    47    50  -0.54700  1.0 1.0
   39    43    47    50   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    50    51   0.00000  1.0 1.0
   43    47    50    56  -0.12500  1.0 1.0
   43    47    50    56  -0.12500 -1.0 2.0
   43    47    50    56   0.25000  1.0 3.0
   43    47    50    59   0.25450  1.0 1.0
   43    47    50    59  -0.61700 -1.0 2.0
   43    47    50    59  -0.23550  1.0 3.0
   44    43    47    48   1.00000 -1.0 2.0
   44    43    47    50   1.00000 -1.0 2.0
   47    50    56    57   0.00000  1.0 1.0
   47    50    56    58   0.00000  1.0 1.0
   47    50    59    60   0.22950  1.0 3.0
   47    50    59    61   0.22950  1.0 3.0
   47    50    59    64  -4.72850  1.0 1.0
   47    50    59    64  -0.07700 -1.0 2.0
   47    50    59    64  -0.12650  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    56   0.00000  1.0 1.0
   48    47    50    59   0.00000  1.0 1.0
   50    59    64    65   0.27300 -1.0 2.0
   50    59    64    66   0.27300 -1.0 2.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    58   0.00000  1.0 1.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    61   0.15000  1.0 3.0
   51    50    59    64   0.15000  1.0 3.0
   56    50    59    60  -0.03800  1.0 3.0
   56    50    59    61  -0.03800  1.0 3.0
   56    50    59    64  -2.38700  1.0 1.0
   56    50    59    64   1.51550 -1.0 2.0
   59    50    56    57   0.00000  1.0 1.0
   59    50    56    58   0.00000  1.0 1.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    66   0.00000  1.0 1.0
   61    59    64    65   0.00000  1.0 1.0
   61    59    64    66   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    62    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   52    54    49    45   4.00000 -1.0 2.0
   62    53    52    49   1.10000 -1.0 2.0
   52    63    62    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   48    43    47    50   1.00000 -1.0 2.0
   57    50    56    58  10.50000 -1.0 2.0
   65    59    64    66  10.50000 -1.0 2.0
END
