* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    141    226     419
    1     0 S   NP   _N1_     1    29.32811    92.92338   -25.08627
    2     1 S   H    _HN1     2     1.02784   112.27483   -95.31611
    3     1 S   H    _H1_     3     1.02952    91.92868    15.41603
    4     1 S   H    _H2_     4     1.02831    15.26769  -171.33453
    5     1 S   CT   _CA1     5     1.50101   119.44647   130.26047
    6     5 S   HC   _HA1     6     1.09567   105.25455    73.18195
    7     5 S   CO3  _C1_     7     1.53810   112.34292   -47.17029
    8     7 S   O2Z  _O11     8     1.26374   115.01333   -44.86596
    9     7 S   O2Z  _O12     9     1.26228   114.94643   134.30272
   10     5 S   CT   _CB1    10     1.53065   107.42685  -168.78484
   11    10 S   HC   HB11    11     1.09828   109.51950   -49.47454
   12    10 S   HC   HB12    12     1.09806   110.34804    67.10826
   13    10 S   CT   _CG1    13     1.52999   112.58337  -170.44739
   14    13 S   HC   HG11    14     1.09592   110.54842   -62.34204
   15    13 S   HC   HG12    15     1.09648   109.93124    56.95014
   16    13 S   C    _CD1    16     1.51749   112.19339   177.51368
   17    16 S   O    _OE1    17     1.22750   123.23195     2.56216
   18    16 S   N    _N2_    18     1.38670   111.72107  -177.93910
   19    18 S   H    _HN2    19     1.01578   119.11479     2.95287
   20    18 S   CT1  _CA2    20     1.46155   123.15899  -178.90175
   21    20 S   HC   _HA2    21     1.09750   109.16785    -0.39958
   22    20 S   C    _C2_    22     1.53408   108.97584  -116.03009
   23    22 S   O    _O2_    23     1.23057   122.22377  -149.04518
   24    20 S   CT   _CB2    32     1.53454   111.84251   121.06488
   25    24 S   HC   HB21    33     1.09576   110.43442    61.24561
   26    24 S   HC   HB22    34     1.09455   109.61120  -179.81233
   27    22 S   N    _N3_    24     1.38314   113.67535    38.42388
   28    27 S   H    _HN3    25     1.01609   119.53526    -3.54724
   29    24 S   S    _SG2    35     1.82480   111.40102   -59.25490
   30    27 S   CT   _CA3    26     1.45289   123.17267   176.98643
   31    30 S   HC   HA31    27     1.09551   107.52924   -63.90460
   32    30 S   HC   HA32    28     1.09557   107.95118    52.51393
   33    29 S   CT   _C10    36     1.82240    99.91933  -172.50525
   34    33 S   HC   _H6_    37     1.09755   105.27364   -53.57245
   35    30 S   CO3  _C3_    29     1.52947   114.11225   174.50175
   36    35 S   O2Z  _O31    30     1.26371   116.05888    -0.53668
   37    35 S   O2Z  _O32    31     1.26428   114.41437   179.52194
   38    33 S   CT   _C9_    38     1.53933   117.17433    68.23513
   39    38 S   HC   _H5_    39     1.09668   111.20186   -81.39417
   40    33 S   CT   _C11    50     1.53827   112.36043  -171.90124
   41    40 S   HC   _H7_    51     1.09433   113.88623   -15.68759
   42    38 S   CT   _C8_    40     1.54695   117.03705    43.79352
   43    42 S   HC   _H13    41     1.09921   107.24577   179.74666
   44    42 S   HC   _H14    42     1.09534   110.03910   -65.23643
   45    40 S   OH   _O33    52     1.42662   109.09383   103.71507
   46    45 S   HO   _H15    53     0.97250   107.34953   178.70517
   47    42 S   CT   _C7_    43     1.54228   114.61803    60.61118
   48    47 S   HC   _H4_    44     1.09738   109.73724   151.81923
   49    47 S   CT   _C6_    45     1.54028   112.98296    31.25785
   50    49 S   HC   _H11    46     1.09702   110.14378  -155.81428
   51    49 S   HC   _H12    47     1.09852   108.38656    87.51024
   52    47 S   OS   _O34    59     1.44486   110.37623   -89.39005
   53    49 S   CT   _C5_    48     1.54220   113.71315   -32.74808
   54    53 S   HC   _H3_    49     1.09626   109.11545   176.94918
   55    52 S   CO4  _C12    60     1.36056   117.85224   -82.93918
   56    55 S   O    _O35    61     1.22281   125.84241     0.72659
   57    38 S   NTH0 _N4_    54     1.47765   103.31693   158.93267
   58    55 S   CM   _C13    62     1.49386   109.72657   179.87967
   59    57 S   CT   _C4_    55     1.45966   113.69383    76.92474
   60    59 S   HC   _H8_    56     1.09550   110.06842    61.65536
   61    59 S   HC   _H9_    57     1.09393   114.25590   -60.08825
   62    59 S   HC   _H10    58     1.09564   109.84252   178.69584
   63    58 S   CA   _C15    63     1.47590   123.31502    11.34137
   64    58 S   CM   _C14    74     1.34341   116.87284  -169.30719
   65    64 S   HC   _H16    75     1.08566   122.23260     0.62495
   66    64 S   HC   _H17    76     1.08616   121.69686  -179.33324
   67    63 S   CA   _C16    64     1.40321   120.81653  -122.92227
   68    67 S   HA   _H18    65     1.08712   120.64434    -0.21306
   69    67 S   CA   _C17    66     1.39590   120.58695   179.09172
   70    69 S   HA   _H19    67     1.08650   119.93651  -179.69868
   71    69 S   CA   _C18    68     1.39302   120.03628     0.18023
   72    71 S   HA   _H20    69     1.08617   119.98120  -179.97202
   73    71 S   CA   _C19    70     1.39353   119.94738     0.07913
   74    73 S   HA   _H21    71     1.08628   119.95791   179.89165
   75    63 S   CA   _C20    72     1.40236   120.35896    56.56442
   76    75 S   HA   _H22    73     1.08767   120.64856     0.82424
  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  10   5   4   3
  16   8   2   1   1  18   8  12   6  12   6   5   5   1  11   6
   8   5   4   6   6   2   8   3   4  10   3   2   1   1  12   4
   1   1   8   4   6   3   5   3   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    42    53    40    41    45    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    47    49    53    54    40    41    45    46    57    59  
   38    39    42    53    40    41    45    57  
   36    37  
   37  
    0  
   39    42    43    44    47    48    49    53    54    40    41    45    57    59    60    61    62    52  
   42    43    44    47    53    40    57    59  
   41    45    46    57    59    42    47    49    50    51    53    54  
   45    46    57    49    53    54  
   43    44    47    48    49    50    51    53    57    59    52    55  
   44    47    48    49    57    52  
   47    48    49    57    52  
   46    57    49    53    54  
   53  
   48    49    50    51    53    54    57    52    55    56    58  
   49    50    51    53    52    55  
   50    51    53    54    57    59    52    55  
   51    53    54    57    52  
   53    54    57    52  
   55    56    58    63    64    53  
   54    57    59    60    61    62  
   57    59  
   56    58    63    67    75    64    65    66  
   58    63    64  
   59    60    61    62  
   63    67    68    69    73    75    76    64    65    66  
   60    61    62  
   61    62  
   62  
    0  
   67    68    69    70    71    73    74    75    76    64    65    66  
   65    66    67    75  
   66  
    0  
   68    69    70    71    72    73    75    76  
   69    70    71    75  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76  
   73    74    75  
   74    75    76  
   75    76  
   76  
    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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   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    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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    57   310.000  1.447
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    40   268.000  1.529
   53    57   310.000  1.447
   40    41   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
   57    59   310.000  1.447
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   52    55   214.000  1.327
   55    56   570.000  1.229
   55    58   320.000  1.462
   58    63   320.000  1.460
   58    64   549.000  1.340
   63    67   469.000  1.400
   63    75   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   64    65   340.000  1.080
   64    66   340.000  1.080
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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    57    75.00000  113.73300
   33    40    53    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    47    58.35000  112.70000
   38    57    53    80.00000  110.40700
   38    57    59    80.00000  110.40700
   42    38    39    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    58.35000  112.70000
   42    47    52    50.00000  109.50000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    55    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    40    58.35000  112.70000
   49    53    57    75.00000  113.73300
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    40    41    37.50000  110.70000
   53    40    45    50.00000  109.50000
   53    57    59    80.00000  110.40700
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    53    54    37.50000  110.70000
   40    45    46    55.00000  108.50000
   45    40    41    35.00000  109.50000
   57    38    39    50.00000  110.15500
   57    38    42    75.00000  113.73300
   57    53    54    50.00000  110.15500
   57    53    40    75.00000  113.73300
   57    59    60    50.00000  110.15500
   57    59    61    50.00000  110.15500
   57    59    62    50.00000  110.15500
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    50.00000  109.50000
   52    55    56    83.00000  123.40000
   52    55    58    90.00000  111.29400
   55    58    63    75.00000  114.44000
   55    58    64    65.00000  118.96000
   58    55    56    80.00000  123.72100
   58    63    67    60.00000  120.93500
   58    63    75    60.00000  120.93500
   58    64    65    35.00000  120.00000
   58    64    66    35.00000  120.00000
   63    67    68    35.00000  120.00000
   63    67    69    63.00000  120.00000
   63    75    73    63.00000  120.00000
   63    75    76    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   75    63    67    63.00000  120.00000
   75    73    74    35.00000  120.00000
   64    58    63    60.00000  123.20500
   66    64    65    35.00000  117.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    57   0.56750  1.0 1.0
   29    33    38    57  -0.07550 -1.0 2.0
   29    33    38    57   0.20000  1.0 3.0
   29    33    40    53   0.44750  1.0 1.0
   29    33    40    53  -0.17800 -1.0 2.0
   29    33    40    53   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    47   0.56750  1.0 1.0
   33    38    42    47  -0.07550 -1.0 2.0
   33    38    42    47   0.20000  1.0 3.0
   33    38   -57    53   1.99000  1.0 1.0
   33    38   -57    53   0.18800 -1.0 2.0
   33    38   -57    53   0.81350  1.0 3.0
   33    38    57    59   0.58650  1.0 1.0
   33    38    57    59   0.12600 -1.0 2.0
   33    38    57    59   0.33350  1.0 3.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    57   0.15000  1.0 3.0
   34    33    40    53   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    45   0.23400  1.0 3.0
   38    33   -40    53   0.56750  1.0 1.0
   38    33   -40    53  -0.07550 -1.0 2.0
   38    33   -40    53   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    45   0.86500  1.0 1.0
   38    33    40    45  -0.17500 -1.0 2.0
   38    33    40    45   0.20800  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.56750  1.0 1.0
   38    42    47    49  -0.07550 -1.0 2.0
   38    42    47    49   0.20000  1.0 3.0
   38    42    47    52   0.62750  1.0 1.0
   38    42    47    52  -0.30950 -1.0 2.0
   38    42    47    52   0.27300  1.0 3.0
   38    57    59    60   0.28000  1.0 3.0
   38    57    59    61   0.28000  1.0 3.0
   38    57    59    62   0.28000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   39    38    57    53   0.28000  1.0 3.0
   39    38    57    59   0.28000  1.0 3.0
   42    38    57    53   1.99000  1.0 1.0
   42    38    57    53   0.18800 -1.0 2.0
   42    38    57    53   0.81350  1.0 3.0
   42    38    57    59   0.58650  1.0 1.0
   42    38    57    59   0.12600 -1.0 2.0
   42    38    57    59   0.33350  1.0 3.0
   42    47    49    50   0.15000  1.0 3.0
   42    47    49    51   0.15000  1.0 3.0
   42    47   -49    53   0.56750  1.0 1.0
   42    47   -49    53  -0.07550 -1.0 2.0
   42    47   -49    53   0.20000  1.0 3.0
   42    47    52    55  -0.25900  1.0 1.0
   42    47    52    55  -0.47000 -1.0 2.0
   42    47    52    55   0.11750  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    52   0.23400  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   44    42    47    52   0.23400  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    40   0.56750  1.0 1.0
   47    49    53    40  -0.07550 -1.0 2.0
   47    49    53    40   0.20000  1.0 3.0
   47    49    53    57   1.53400  1.0 1.0
   47    49    53    57  -0.09950 -1.0 2.0
   47    49    53    57   0.05700  1.0 3.0
   47    52    55    56   3.00000 -1.0 2.0
   47    52    55    58   2.00000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    55   0.08050  1.0 3.0
   49    47    52    55  -0.25900  1.0 1.0
   49    47    52    55  -0.47000 -1.0 2.0
   49    47    52    55   0.11750  1.0 3.0
   49    53    40    33   0.56750  1.0 1.0
   49    53    40    33  -0.07550 -1.0 2.0
   49    53    40    33   0.20000  1.0 3.0
   49    53    40    41   0.15000  1.0 3.0
   49    53    40    45   0.86500  1.0 1.0
   49    53    40    45  -0.17500 -1.0 2.0
   49    53    40    45   0.20800  1.0 3.0
   49    53   -57    38   1.99000  1.0 1.0
   49    53   -57    38   0.18800 -1.0 2.0
   49    53   -57    38   0.81350  1.0 3.0
   49    53    57    59   0.58650  1.0 1.0
   49    53    57    59   0.12600 -1.0 2.0
   49    53    57    59   0.33350  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    40   0.15000  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    40   0.15000  1.0 3.0
   51    49    53    57   0.15000  1.0 3.0
   53    40    45    46  -0.11600  1.0 1.0
   53    40    45    46  -0.09450 -1.0 2.0
   53    40    45    46   0.21250  1.0 3.0
   53    57    59    60   0.28000  1.0 3.0
   53    57    59    61   0.28000  1.0 3.0
   53    57    59    62   0.28000  1.0 3.0
   54    53    40    33   0.15000  1.0 3.0
   54    53    40    41   0.15000  1.0 3.0
   54    53    40    45   0.23400  1.0 3.0
   54    53    57    38   0.28000  1.0 3.0
   54    53    57    59   0.28000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33   -38    57   1.53400  1.0 1.0
   40    33   -38    57  -0.09950 -1.0 2.0
   40    33   -38    57   0.05700  1.0 3.0
   40    53   -57    38   1.99000  1.0 1.0
   40    53   -57    38   0.18800 -1.0 2.0
   40    53   -57    38   0.81350  1.0 3.0
   40    53    57    59   0.58650  1.0 1.0
   40    53    57    59   0.12600 -1.0 2.0
   40    53    57    59   0.33350  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   57    38    42    43   0.15000  1.0 3.0
   57    38    42    44   0.15000  1.0 3.0
   57    38   -42    47   1.53400  1.0 1.0
   57    38   -42    47  -0.09950 -1.0 2.0
   57    38   -42    47   0.05700  1.0 3.0
   57    53   -40    33   1.53400  1.0 1.0
   57    53   -40    33  -0.09950 -1.0 2.0
   57    53   -40    33   0.05700  1.0 3.0
   57    53    40    41   0.15000  1.0 3.0
   57    53    40    45   3.18500  1.0 1.0
   52    47    49    50   0.23400  1.0 3.0
   52    47    49    51   0.23400  1.0 3.0
   52    47    49    53   0.62750  1.0 1.0
   52    47    49    53  -0.30950 -1.0 2.0
   52    47    49    53   0.27300  1.0 3.0
   52    55    58    63   1.50000 -1.0 2.0
   52    55    58    64  -0.56150  1.0 1.0
   52    55    58    64   2.19150 -1.0 2.0
   55    58    63    67  -0.01750  1.0 1.0
   55    58    63    67  -0.32000 -1.0 2.0
   55    58    63    67   0.00600  1.0 3.0
   55    58    63    75  -0.01750  1.0 1.0
   55    58    63    75  -0.32000 -1.0 2.0
   55    58    63    75   0.00600  1.0 3.0
   55    58    64    65   7.00000 -1.0 2.0
   55    58    64    66   7.00000 -1.0 2.0
   56    55    58    63  -0.52200  1.0 1.0
   56    55    58    63   0.82950 -1.0 2.0
   56    55    58    64   1.00000 -1.0 2.0
   58    63    67    68   3.62500 -1.0 2.0
   58    63    67    69   3.62500 -1.0 2.0
   58    63    75    73   3.62500 -1.0 2.0
   58    63    75    76   3.62500 -1.0 2.0
   63    58    64    65   7.00000 -1.0 2.0
   63    58    64    66   7.00000 -1.0 2.0
   63    67    69    70   3.62500 -1.0 2.0
   63    67    69    71   3.62500 -1.0 2.0
   67    63    75    73   3.62500 -1.0 2.0
   67    63    75    76   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69   -71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73   -75    63   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   74    73    75    63   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    63    67    68   3.62500 -1.0 2.0
   75    63   -67    69   3.62500 -1.0 2.0
   64    58    63    67   0.15800  1.0 1.0
   64    58    63    67   1.85350 -1.0 2.0
   64    58    63    67  -0.48700  1.0 3.0
   64    58    63    75   0.15800  1.0 1.0
   64    58    63    75   1.85350 -1.0 2.0
   64    58    63    75  -0.48700  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
   52    58    55    56  10.50000 -1.0 2.0
   55    63    58    64  15.00000 -1.0 2.0
   67    75    63    58   4.00000 -1.0 2.0
   69    68    67    63   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    63   1.10000 -1.0 2.0
   65    66    64    58  15.00000 -1.0 2.0
END
