* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    139    220     418
    1     0 S   NP   _N1_     1    28.70346    95.18772   -20.91976
    2     1 S   H    _HN1     2     1.02960    87.72301    18.09156
    3     1 S   H    _H1_     3     1.02837    35.65499   142.05337
    4     1 S   H    _H2_     4     1.02782    86.64697   -90.40942
    5     1 S   CT   _CA1     5     1.50092   146.40977   142.92985
    6     5 S   HC   _HA1     6     1.09572   105.26863    58.61782
    7     5 S   CO3  _C1_     7     1.53828   112.41377   -61.64939
    8     7 S   O2Z  _O11     8     1.26357   115.01776   -43.83131
    9     7 S   O2Z  _O12     9     1.26245   114.96815   135.55464
   10     5 S   CT   _CB1    10     1.53115   107.43465   176.57217
   11    10 S   HC   HB11    11     1.09818   109.44878   -50.74863
   12    10 S   HC   HB12    12     1.09799   110.38799    65.80356
   13    10 S   CT   _CG1    13     1.52941   112.54915  -171.80916
   14    13 S   HC   HG11    14     1.09432   110.45529   -60.59726
   15    13 S   HC   HG12    15     1.09652   109.97297    58.33341
   16    13 S   C    _CD1    16     1.51768   112.46039   178.54250
   17    16 S   O    _OE1    17     1.22706   123.26411    -8.63436
   18    16 S   N    _N2_    18     1.38570   111.58849   172.59323
   19    18 S   H    _HN2    19     1.01612   118.89390    -0.64163
   20    18 S   CT1  _CA2    20     1.46128   123.64137   176.96546
   21    20 S   HC   _HA2    21     1.09729   109.56721     1.82992
   22    20 S   C    _C2_    22     1.53563   108.17713  -113.75087
   23    22 S   O    _O2_    23     1.23040   122.21509  -142.53816
   24    20 S   CT   _CB2    32     1.53298   111.34552   124.16032
   25    24 S   HC   HB21    33     1.09492   109.81145    54.78636
   26    24 S   HC   HB22    34     1.09471   110.02884   173.05502
   27    22 S   N    _N3_    24     1.38498   113.55811    44.59952
   28    27 S   H    _HN3    25     1.01481   119.05083    -0.17471
   29    24 S   S    _SG2    35     1.82996   111.60043   -68.33544
   30    27 S   CT   _CA3    26     1.45466   123.48878   175.56032
   31    30 S   HC   HA31    27     1.09516   109.35989    22.45006
   32    30 S   HC   HA32    28     1.09500   107.09127   139.44112
   33    29 S   CT   _C13    36     1.88080   100.79008   139.13791
   34    33 S   HC   _H5_    37     1.09029   105.84719   -24.21163
   35    30 S   CO3  _C3_    29     1.52905   113.01507  -101.13212
   36    35 S   O2Z  _O31    30     1.26413   115.34791   -46.46357
   37    35 S   O2Z  _O32    31     1.26351   115.02726   134.46910
   38    33 S   CT   _C14    38     1.59711   113.62210    93.46769
   39    38 S   CM   _C9_    39     1.53283   110.11870    82.83506
   40    38 S   CT   _C15    72     1.55885   109.96097   -37.90421
   41    40 S   HC   _H14    73     1.09428   111.17280   -51.19078
   42    40 S   HC   _H15    74     1.09326   113.35913  -170.29437
   43    40 S   HC   _H16    75     1.09556   112.18380    70.63561
   44    39 S   CM   _C10    40     1.34179   124.94329    11.02819
   45    44 S   HC   _H13    41     1.08573   121.47284   178.65914
   46    39 S   CT   _C8_    56     1.51036   115.63901  -176.49658
   47    46 S   HC   _H11    57     1.09469   110.98388    60.85883
   48    46 S   HC   _H12    58     1.09698   111.60368   178.63585
   49    44 S   CO4  _C11    42     1.48430   122.54599     6.85057
   50    49 S   O    _O33    43     1.23113   117.61607   178.85756
   51    46 S   CT   _C7_    59     1.52552   108.55290   -61.44850
   52    51 S   HC   _H9_    60     1.09711   109.78057   175.43692
   53    51 S   HC   _H10    61     1.09897   109.61600   -69.45488
   54    33 S   CT   _C12    44     1.56424   107.42064  -138.91762
   55    51 S   CT   _C6_    62     1.53319   113.27137    52.66994
   56    55 S   HC   _H4_    63     1.09518   109.62428    73.77682
   57    54 S   CM   _C16    45     1.54138   114.40857    56.33579
   58    54 S   OH   _O35    54     1.43906   109.52864   175.92898
   59    58 S   HO   _H22    55     0.97370   108.08649  -178.86581
   60    38 S   CT   _C5_    64     1.58589   113.43614  -159.24110
   61    60 S   HC   _H3_    65     1.09517   109.35586   -56.58809
   62    55 S   OH   _O36    70     1.42980   108.10052  -170.59874
   63    62 S   HO   _H23    71     0.97244   107.56164   -58.05073
   64    57 S   CM   _C17    46     1.34658   124.25016  -101.41851
   65    64 S   HC   _H17    47     1.08528   121.38061  -179.23383
   66    64 S   HC   _H18    48     1.08379   122.67238     2.08506
   67    57 S   CT   _C18    49     1.51449   117.70496    79.15349
   68    67 S   HC   _H19    50     1.09432   111.20042    52.49762
   69    67 S   HC   _H20    51     1.09542   111.70773   171.91485
   70    60 S   CT   _C4_    66     1.53907   114.00401    61.23787
   71    70 S   HC   _H6_    67     1.09408   111.78382    63.63679
   72    70 S   HC   _H7_    68     1.09246   112.01763   -58.29266
   73    70 S   HC   _H8_    69     1.09554   110.80001  -176.81906
   74    67 S   OH   _O34    52     1.42029   110.12521   -68.43492
   75    74 S   HO   _H21    53     0.97258   106.77099   180.00000
  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
  21   8   2   1   1  24  19  10   3   2   1  11   4  10   5   4
   7   3   9   5   4  11   9   5  10   3   1   7   5   2   1   6
   2   1   4   3   2   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    54    57    58    60    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    49    50    54    57    64    67    58    59    46    55    60    61    70    40    41    42    43  
   38    39    49    54    57    58    60    40  
   36    37  
   37  
    0  
   39    44    45    49    54    57    58    46    47    48    51    55    56    60    61    70    71    72    73    62    40    41    42    43  
   44    45    49    50    54    46    47    48    51    52    53    55    60    61    70    40    41    42    43  
   41    42    43    44    46    54    55    60    61    70  
   42    43    60  
   43    60  
   60  
   45    49    50    54    57    58    46    47    48    51    60  
   49    50    54    46  
   47    48    51    52    53    55    56    60    62    49  
   48    51    52    53    55  
   51    52    53    55  
   50    54    57    64    67    58    59  
   54    57    58  
   52    53    55    56    60    61    70    62    63  
   53    55    56    60    62  
   55    56    60    62  
   57    64    65    66    67    68    69    74    58    59    60  
   56    60    61    70    71    72    73    62    63  
   60    61    70    62    63  
   64    65    66    67    68    69    74    75    58    59  
   59    64    67  
    0  
   61    70    71    72    73    62    63  
   70    71    72    73    62  
   63    70  
    0  
   65    66    67    68    69    74  
   66    67  
   67  
   68    69    74    75  
   69    74    75  
   74    75  
   71    72    73  
   72    73  
   73  
    0  
   75  
    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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   317.000  1.510
   38    60   268.000  1.529
   38    40   268.000  1.529
   39    44   549.000  1.340
   39    46   317.000  1.510
   44    45   340.000  1.080
   44    49   320.000  1.462
   49    50   570.000  1.229
   49    54   317.000  1.522
   54    57   317.000  1.510
   54    58   320.000  1.410
   57    64   549.000  1.340
   57    67   317.000  1.510
   64    65   340.000  1.080
   64    66   340.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   320.000  1.410
   74    75   553.000  0.945
   58    59   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    62   320.000  1.410
   60    61   340.000  1.090
   60    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   62    63   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
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    54    75.00000  111.63000
   33    38    39    70.00000  112.02700
   33    38    60    58.35000  112.70000
   33    38    40    58.35000  112.70000
   33    54    49    63.00000  111.10000
   33    54    57    70.00000  112.02700
   33    54    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    39    44    70.00000  124.00000
   38    39    46    65.00000  117.92700
   38    60    55    58.35000  112.70000
   38    60    61    37.50000  110.70000
   38    60    70    58.35000  112.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    43    37.50000  110.70000
   39    44    45    35.00000  120.00000
   39    44    49    65.00000  118.96000
   39    46    47    35.00000  109.50000
   39    46    48    35.00000  109.50000
   39    46    51    70.00000  112.02700
   44    49    50    80.00000  123.72100
   44    49    54    65.00000  118.62400
   49    44    45    40.00000  117.72500
   49    54    57    70.00000  109.06800
   49    54    58    90.00000  109.61100
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    49    50    80.00000  120.40000
   54    57    64    70.00000  124.00000
   54    57    67    65.00000  117.92700
   54    58    59    55.00000  108.50000
   57    64    65    35.00000  120.00000
   57    64    66    35.00000  120.00000
   57    67    68    35.00000  109.50000
   57    67    69    35.00000  109.50000
   57    67    74    90.00000  110.39200
   66    64    65    35.00000  117.00000
   67    57    64    70.00000  124.00000
   67    74    75    55.00000  108.50000
   69    67    68    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    69    35.00000  109.50000
   58    54    57    90.00000  110.39200
   46    39    44    70.00000  124.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    60    58.35000  112.70000
   51    55    62    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    70    58.35000  112.70000
   55    62    63    55.00000  108.50000
   60    38    39    70.00000  112.02700
   60    55    56    37.50000  110.70000
   60    70    71    37.50000  110.70000
   60    70    72    37.50000  110.70000
   60    70    73    37.50000  110.70000
   70    60    61    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   62    55    56    35.00000  109.50000
   62    55    60    50.00000  109.50000
   40    38    39    70.00000  112.02700
   40    38    60    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    60   0.44750  1.0 1.0
   29    33    38    60  -0.17800 -1.0 2.0
   29    33    38    60   0.20200  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    57   0.56750  1.0 1.0
   29    33    54    57  -0.07550 -1.0 2.0
   29    33    54    57   0.20000  1.0 3.0
   29    33    54    58   0.56750  1.0 1.0
   29    33    54    58  -0.07550 -1.0 2.0
   29    33    54    58   0.20000  1.0 3.0
   33    38    39    44   0.09850  1.0 1.0
   33    38    39    44   0.15250 -1.0 2.0
   33    38    39    44  -0.50650  1.0 3.0
   33    38    39    46   0.46850  1.0 1.0
   33    38    39    46   0.08550 -1.0 2.0
   33    38    39    46   0.09800  1.0 3.0
   33    38    60    55   0.56750  1.0 1.0
   33    38    60    55  -0.07550 -1.0 2.0
   33    38    60    55   0.20000  1.0 3.0
   33    38    60    61   0.15000  1.0 3.0
   33    38    60    70   0.56750  1.0 1.0
   33    38    60    70  -0.07550 -1.0 2.0
   33    38    60    70   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    43   0.15000  1.0 3.0
   33    54    57    64   0.09850  1.0 1.0
   33    54    57    64   0.15250 -1.0 2.0
   33    54    57    64  -0.50650  1.0 3.0
   33    54    57    67   0.46850  1.0 1.0
   33    54    57    67   0.08550 -1.0 2.0
   33    54    57    67   0.09800  1.0 3.0
   33    54    58    59  -0.11600  1.0 1.0
   33    54    58    59  -0.09450 -1.0 2.0
   33    54    58    59   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    60   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    54    49  -0.11250  1.0 3.0
   34    33    54    57   0.15000  1.0 3.0
   34    33    54    58   0.23400  1.0 3.0
   38    33    54    49  -0.95700  1.0 1.0
   38    33    54    49  -0.18200 -1.0 2.0
   38    33    54    49   0.29450  1.0 3.0
   38    33    54    57   0.34400  1.0 1.0
   38    33    54    57   0.09450 -1.0 2.0
   38    33    54    57   0.11100  1.0 3.0
   38    33    54    58   0.86500  1.0 1.0
   38    33    54    58  -0.17500 -1.0 2.0
   38    33    54    58   0.20800  1.0 3.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    49   7.00000 -1.0 2.0
   38    39    46    47   0.34800  1.0 3.0
   38    39    46    48   0.34800  1.0 3.0
   38    39    46    51   0.46850  1.0 1.0
   38    39    46    51   0.08550 -1.0 2.0
   38    39    46    51   0.09800  1.0 3.0
   38    60    70    71   0.15000  1.0 3.0
   38    60    70    72   0.15000  1.0 3.0
   38    60    70    73   0.15000  1.0 3.0
   39    38    60    55   0.34400  1.0 1.0
   39    38    60    55   0.09450 -1.0 2.0
   39    38    60    55   0.11100  1.0 3.0
   39    38    60    61   0.15000  1.0 3.0
   39    38    60    70   0.34400  1.0 1.0
   39    38    60    70   0.09450 -1.0 2.0
   39    38    60    70   0.11100  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    44    49    50   1.00000 -1.0 2.0
   39    44    49    54  -0.33500  1.0 1.0
   39    44    49    54   1.06600 -1.0 2.0
   39    44    49    54  -0.14000  1.0 3.0
   39    46    51    52   0.15000  1.0 3.0
   39    46    51    53   0.15000  1.0 3.0
   39    46   -51    55   0.34400  1.0 1.0
   39    46   -51    55   0.09450 -1.0 2.0
   39    46   -51    55   0.11100  1.0 3.0
   44    39    46    47   0.00000  1.0 1.0
   44    39    46    48   0.00000  1.0 1.0
   44    39    46    51   0.09850  1.0 1.0
   44    39    46    51   0.15250 -1.0 2.0
   44    39    46    51  -0.50650  1.0 3.0
   44    49   -54    33   0.65300  1.0 1.0
   44    49   -54    33  -0.03850 -1.0 2.0
   44    49   -54    33   0.33900  1.0 3.0
   44    49    54    57   0.65300  1.0 1.0
   44    49    54    57  -0.03850 -1.0 2.0
   44    49    54    57   0.33900  1.0 3.0
   44    49    54    58   0.65300  1.0 1.0
   44    49    54    58  -0.03850 -1.0 2.0
   44    49    54    58   0.33900  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    54   0.04550  1.0 1.0
   45    44    49    54   0.83000 -1.0 2.0
   45    44    49    54  -0.04000  1.0 3.0
   49    54    57    64  -0.51250  1.0 1.0
   49    54    57    64  -0.88800 -1.0 2.0
   49    54    57    64   0.08850  1.0 3.0
   49    54    57    67   0.17250  1.0 1.0
   49    54    57    67  -0.04100 -1.0 2.0
   49    54    57    67  -0.33850  1.0 3.0
   49    54    58    59   0.91850  1.0 1.0
   49    54    58    59   0.57950  1.0 3.0
   50    49    54    33   0.30150 -1.0 2.0
   50    49    54    57   0.30150 -1.0 2.0
   50    49    54    58   0.30150 -1.0 2.0
   54    33   -38    39   0.34400  1.0 1.0
   54    33   -38    39   0.09450 -1.0 2.0
   54    33   -38    39   0.11100  1.0 3.0
   54    33    38    60   0.56750  1.0 1.0
   54    33    38    60  -0.07550 -1.0 2.0
   54    33    38    60   0.20000  1.0 3.0
   54    33    38    40   0.56750  1.0 1.0
   54    33    38    40  -0.07550 -1.0 2.0
   54    33    38    40   0.20000  1.0 3.0
   54    57    64    65   7.00000 -1.0 2.0
   54    57    64    66   7.00000 -1.0 2.0
   54    57    67    68   0.34800  1.0 3.0
   54    57    67    69   0.34800  1.0 3.0
   54    57    67    74   0.18000  1.0 1.0
   54    57    67    74   0.16450 -1.0 2.0
   54    57    67    74   0.04450  1.0 3.0
   57    54    58    59  -0.07800  1.0 1.0
   57    54    58    59  -0.21500 -1.0 2.0
   57    54    58    59  -0.03150  1.0 3.0
   57    67    74    75  -0.07800  1.0 1.0
   57    67    74    75  -0.21500 -1.0 2.0
   57    67    74    75  -0.03150  1.0 3.0
   64    57    67    68   0.00000  1.0 1.0
   64    57    67    69   0.00000  1.0 1.0
   64    57    67    74   0.67800  1.0 1.0
   64    57    67    74   0.47050 -1.0 2.0
   64    57    67    74  -0.62500  1.0 3.0
   67    57    64    65   7.00000 -1.0 2.0
   67    57    64    66   7.00000 -1.0 2.0
   68    67    74    75   0.19450  1.0 3.0
   69    67    74    75   0.19450  1.0 3.0
   58    54    57    64   0.67800  1.0 1.0
   58    54    57    64   0.47050 -1.0 2.0
   58    54    57    64  -0.62500  1.0 3.0
   58    54    57    67   0.18000  1.0 1.0
   58    54    57    67   0.16450 -1.0 2.0
   58    54    57    67   0.04450  1.0 3.0
   46    39    44    45   7.00000 -1.0 2.0
   46    39    44    49   7.00000 -1.0 2.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    60   0.56750  1.0 1.0
   46    51    55    60  -0.07550 -1.0 2.0
   46    51    55    60   0.20000  1.0 3.0
   46    51    55    62   0.86500  1.0 1.0
   46    51    55    62  -0.17500 -1.0 2.0
   46    51    55    62   0.20800  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    55   -60    38   0.56750  1.0 1.0
   51    55   -60    38  -0.07550 -1.0 2.0
   51    55   -60    38   0.20000  1.0 3.0
   51    55    60    61   0.15000  1.0 3.0
   51    55    60    70   0.56750  1.0 1.0
   51    55    60    70  -0.07550 -1.0 2.0
   51    55    60    70   0.20000  1.0 3.0
   51    55    62    63  -0.11600  1.0 1.0
   51    55    62    63  -0.09450 -1.0 2.0
   51    55    62    63   0.21250  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    60   0.15000  1.0 3.0
   52    51    55    62   0.23400  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    60   0.15000  1.0 3.0
   53    51    55    62   0.23400  1.0 3.0
   55    60    70    71   0.15000  1.0 3.0
   55    60    70    72   0.15000  1.0 3.0
   55    60    70    73   0.15000  1.0 3.0
   56    55    60    38   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    70   0.15000  1.0 3.0
   56    55    62    63   0.19450  1.0 3.0
   60    38    39    44   0.09850  1.0 1.0
   60    38    39    44   0.15250 -1.0 2.0
   60    38    39    44  -0.50650  1.0 3.0
   60    38   -39    46   0.46850  1.0 1.0
   60    38   -39    46   0.08550 -1.0 2.0
   60    38   -39    46   0.09800  1.0 3.0
   60    38    40    41   0.15000  1.0 3.0
   60    38    40    42   0.15000  1.0 3.0
   60    38    40    43   0.15000  1.0 3.0
   60    55    62    63  -0.11600  1.0 1.0
   60    55    62    63  -0.09450 -1.0 2.0
   60    55    62    63   0.21250  1.0 3.0
   61    60    70    71   0.15000  1.0 3.0
   61    60    70    72   0.15000  1.0 3.0
   61    60    70    73   0.15000  1.0 3.0
   62    55    60    38   0.86500  1.0 1.0
   62    55    60    38  -0.17500 -1.0 2.0
   62    55    60    38   0.20800  1.0 3.0
   62    55    60    61   0.23400  1.0 3.0
   62    55    60    70   0.86500  1.0 1.0
   62    55    60    70  -0.17500 -1.0 2.0
   62    55    60    70   0.20800  1.0 3.0
   40    38    39    44   0.09850  1.0 1.0
   40    38    39    44   0.15250 -1.0 2.0
   40    38    39    44  -0.50650  1.0 3.0
   40    38    39    46   0.46850  1.0 1.0
   40    38    39    46   0.08550 -1.0 2.0
   40    38    39    46   0.09800  1.0 3.0
   40    38    60    55   0.56750  1.0 1.0
   40    38    60    55  -0.07550 -1.0 2.0
   40    38    60    55   0.20000  1.0 3.0
   40    38    60    61   0.15000  1.0 3.0
   40    38    60    70   0.56750  1.0 1.0
   40    38    60    70  -0.07550 -1.0 2.0
   40    38    60    70   0.20000  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
   38    46    39    44   1.10000 -1.0 2.0
   49    45    44    39   1.10000 -1.0 2.0
   44    54    49    50  10.50000 -1.0 2.0
   54    67    57    64  15.00000 -1.0 2.0
   65    66    64    57  15.00000 -1.0 2.0
END
