* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    126    188     367
    1     0 S   NP   _N1_     1    28.72973    95.05138   -20.25282
    2     1 S   H    _HN1     2     1.02967    94.10034    46.88799
    3     1 S   H    _H1_     3     1.02837    33.74515   161.87278
    4     1 S   H    _H2_     4     1.02777    83.35272   -61.09785
    5     1 S   CT   _CA1     5     1.50109   143.50710  -179.97202
    6     5 S   HC   _HA1     6     1.09579   105.25306    48.48367
    7     5 S   CO3  _C1_     7     1.53805   112.33646   -71.66493
    8     7 S   O2Z  _O11     8     1.26339   115.04712   -45.51081
    9     7 S   O2Z  _O12     9     1.26242   114.91020   133.69769
   10     5 S   CT   _CB1    10     1.53098   107.40392   166.27719
   11    10 S   HC   HB11    11     1.09812   109.31920   -51.84050
   12    10 S   HC   HB12    12     1.09825   110.42093    64.69473
   13    10 S   CT   _CG1    13     1.52967   112.63569  -173.08551
   14    13 S   HC   HG11    14     1.09590   110.15796   -61.54463
   15    13 S   HC   HG12    15     1.09625   110.24130    57.54004
   16    13 S   C    _CD1    16     1.51826   112.22239   177.67535
   17    16 S   O    _OE1    17     1.22713   123.18038   -15.89033
   18    16 S   N    _N2_    18     1.38496   111.60632   165.15540
   19    18 S   H    _HN2    19     1.01591   118.91398     0.73302
   20    18 S   CT1  _CA2    20     1.46159   123.67826  -176.67751
   21    20 S   HC   _HA2    21     1.09729   109.47489   -19.69909
   22    20 S   C    _C2_    22     1.53363   108.33855  -135.47210
   23    22 S   O    _O2_    23     1.23044   122.40247  -144.44274
   24    20 S   CT   _CB2    32     1.53312   110.77836   102.88619
   25    24 S   HC   HB21    33     1.09487   109.43640    46.36242
   26    24 S   HC   HB22    34     1.09196   110.51442   165.08030
   27    22 S   N    _N3_    24     1.38516   113.34572    43.24992
   28    27 S   H    _HN3    25     1.01529   119.01532    -0.70665
   29    24 S   S    _SG2    35     1.82747   111.89908   -76.18057
   30    27 S   CT   _CA3    26     1.45395   122.88563   174.92750
   31    30 S   HC   HA31    27     1.09558   108.67910    35.06498
   32    30 S   HC   HA32    28     1.09480   107.29717   151.98998
   33    29 S   CT   _C10    36     1.86225   101.09179   158.06753
   34    33 S   OM   _O36    37     1.31980   108.66822   170.80927
   35    30 S   CO3  _C3_    29     1.52952   113.37212   -87.97500
   36    35 S   O2Z  _O31    30     1.26375   115.49486   -43.41669
   37    35 S   O2Z  _O32    31     1.26372   114.90694   137.42916
   38    33 S   CM   _C11    38     1.52777   106.00289   -76.24510
   39    38 S   HC   _H13    39     1.09271   115.03568   -55.32396
   40    33 S   CT   _C9_    54     1.55503   112.24836    50.33738
   41    40 S   HC   _H11    55     1.09809   108.87953   -71.18605
   42    40 S   HC   _H12    56     1.10101   110.87419   172.94059
   43    38 S   CM   _C12    40     1.34525   127.37004   124.42267
   44    43 S   HC   _H14    41     1.08555   120.46139     2.14813
   45    40 S   CO4  _C8_    57     1.53073   116.88912    51.08231
   46    45 S   O    _O34    58     1.22383   125.12578    34.47716
   47    43 S   CA   _C13    42     1.47284   124.30896  -178.73746
   48    45 S   S    _S1_    59     1.77325   113.33216  -148.51142
   49    47 S   CA   _C14    43     1.40380   122.63790    33.64085
   50    49 S   HA   _H15    44     1.08736   121.09000    -1.14432
   51    48 S   CT   _C7_    60     1.82240   100.69154   158.92931
   52    51 S   HC   _H9_    61     1.09527   107.19757   166.17592
   53    51 S   HC   _H10    62     1.09475   109.26087    50.64119
   54    49 S   CA   _C15    45     1.39699   120.65224   178.40726
   55    54 S   HA   _H16    46     1.08665   119.75766   179.66428
   56    51 S   CT   _C6_    63     1.52807   113.01610   -72.42644
   57    56 S   HC   _H7_    64     1.09612   108.86590   174.13278
   58    56 S   HC   _H8_    65     1.09458   111.92950    55.57685
   59    54 S   CA   _C16    47     1.39072   119.68582    -0.57335
   60    56 S   N    _N4_    66     1.45305   113.05943   -66.18460
   61    60 S   H    _H6_    67     1.01674   118.29729    98.92984
   62    59 S   CA   _C17    48     1.39182   120.65957    -0.21122
   63    62 S   HA   _H17    49     1.08594   121.00172  -179.67857
   64    59 S   OH   _O35    52     1.36602   118.26612  -179.97202
   65    64 S   HO   _H19    53     0.97219   108.58233  -179.86878
   66    60 S   C    _C5_    68     1.38321   122.74899   -81.60445
   67    66 S   O    _O33    69     1.22796   125.40094     0.72820
   68    47 S   CA   _C18    50     1.40350   118.62772  -149.27972
   69    68 S   HA   _H18    51     1.08806   120.49933     1.90310
   70    66 S   CT   _C4_    70     1.50450   112.42369  -178.94873
   71    70 S   HC   _H3_    71     1.09335   109.60221    65.31673
   72    70 S   HC   _H4_    72     1.09341   109.74148  -174.93156
   73    70 S   HC   _H5_    73     1.09365   110.03627   -55.21091
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  10   4   7   4   3   8   3   6   2   9   7
   8   4   8   5   4   7   3   7   4   3   6   7   3   5   3   2
   1   5   4   1   1   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    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    48  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    49    68    40    41    42    45  
   43    44    47    40  
   41    42    45    46    48    51    43  
   42    45    46    48  
   45    46    48  
   44    47    49    50    54    62    68    69  
   47    49    68  
   46    48    51    52    53    56  
   48    51  
   49    50    54    55    59    62    63    68    69  
   51    52    53    56    57    58    60  
   50    54    55    59    62    68    69    64  
   54    55    59    68  
   52    53    56    57    58    60    61    66  
   53    56    57    58    60  
   56    57    58    60  
   55    59    62    63    68    64    65  
   59    62    64  
   57    58    60    61    66    67    70  
   58    60    61    66  
   60    61    66  
   62    63    68    69    64    65  
   61    66    67    70    71    72    73  
   66    67    70  
   63    68    69    64    65  
   68    69    64  
   65    68  
    0  
   67    70    71    72    73  
   70    71    72    73  
   69  
    0  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.047500   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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
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   570.000  1.307
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   320.000  1.460
   47    49   469.000  1.400
   47    68   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    62   469.000  1.400
   59    64   450.000  1.364
   62    63   367.000  1.080
   62    68   469.000  1.400
   68    69   367.000  1.080
   64    65   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    48   210.000  1.799
   48    51   222.000  1.810
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   337.000  1.449
   60    61   434.000  1.010
   60    66   490.000  1.335
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    43    44    35.00000  120.00000
   38    43    47    60.00000  123.20500
   43    38    39    35.00000  120.00000
   43    47    49    60.00000  120.93500
   43    47    68    60.00000  120.93500
   47    43    44    40.00000  117.26300
   47    49    50    35.00000  120.00000
   47    49    54    63.00000  120.00000
   47    68    62    63.00000  120.00000
   47    68    69    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    59    62    63.00000  120.00000
   54    59    64    70.00000  120.00000
   59    54    55    35.00000  120.00000
   59    62    63    35.00000  120.00000
   59    62    68    63.00000  120.00000
   59    64    65    35.00000  113.00000
   62    68    69    35.00000  120.00000
   68    47    49    63.00000  120.00000
   68    62    63    35.00000  120.00000
   64    59    62    70.00000  120.00000
   40    33    34    50.00000  109.50000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    48    70.00000  114.16300
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    51    90.00000   96.72000
   48    45    46    80.00000  121.30200
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    56    75.00000  111.63000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    60    70.00000  110.72300
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    60    61    38.00000  118.40000
   56    60    66    50.00000  121.90000
   58    56    57    33.00000  107.80000
   60    56    57    35.00000  109.50000
   60    56    58    35.00000  109.50000
   60    66    67    80.00000  122.90000
   60    66    70    70.00000  116.60000
   66    60    61    35.00000  119.80000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   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    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    48   0.00000  1.0 1.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.39000  1.0 1.0
   34    33    38    43  -0.05800 -1.0 2.0
   34    33    38    43  -0.55150  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   34    33    40    45  -0.09450  1.0 1.0
   34    33    40    45  -1.12950 -1.0 2.0
   34    33    40    45   0.54000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    49   0.15800  1.0 1.0
   38    43    47    49   1.85350 -1.0 2.0
   38    43    47    49  -0.48700  1.0 3.0
   38    43    47    68   0.15800  1.0 1.0
   38    43    47    68   1.85350 -1.0 2.0
   38    43    47    68  -0.48700  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    49    50   3.62500 -1.0 2.0
   43    47    49    54   3.62500 -1.0 2.0
   43    47    68    62   3.62500 -1.0 2.0
   43    47    68    69   3.62500 -1.0 2.0
   44    43    47    49   0.56550  1.0 3.0
   44    43    47    68   0.56550  1.0 3.0
   47    49    54    55   3.62500 -1.0 2.0
   47    49    54    59   3.62500 -1.0 2.0
   49    47    68    62   3.62500 -1.0 2.0
   49    47    68    69   3.62500 -1.0 2.0
   49    54   -59    62   3.62500 -1.0 2.0
   49    54    59    64   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    59   3.62500 -1.0 2.0
   54    59    62    63   3.62500 -1.0 2.0
   54    59    62    68   3.62500 -1.0 2.0
   54    59    64    65   0.84100 -1.0 2.0
   55    54    59    62   3.62500 -1.0 2.0
   55    54    59    64   3.62500 -1.0 2.0
   59    62   -68    47   3.62500 -1.0 2.0
   59    62    68    69   3.62500 -1.0 2.0
   62    59    64    65   0.84100 -1.0 2.0
   63    62    68    47   3.62500 -1.0 2.0
   63    62    68    69   3.62500 -1.0 2.0
   68    47    49    50   3.62500 -1.0 2.0
   68    47   -49    54   3.62500 -1.0 2.0
   64    59    62    63   3.62500 -1.0 2.0
   64    59    62    68   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    48    51  -0.11550  1.0 1.0
   40    45    48    51   1.88700 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    48   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    48   0.00000  1.0 1.0
   45    48    51    52   0.24000  1.0 3.0
   45    48    51    53   0.24000  1.0 3.0
   45    48    51    56   0.00000  1.0 1.0
   46    45    48    51  -0.11550  1.0 1.0
   46    45    48    51   1.88700 -1.0 2.0
   48    51    56    57   0.15000  1.0 3.0
   48    51    56    58   0.15000  1.0 3.0
   48    51    56    60   0.56750  1.0 1.0
   48    51    56    60  -0.07550 -1.0 2.0
   48    51    56    60   0.20000  1.0 3.0
   51    56    60    61   0.00000  1.0 1.0
   51    56    60    66  -0.43950  1.0 1.0
   51    56    60    66  -0.08100 -1.0 2.0
   51    56    60    66   0.03350  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    60   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    60   0.15000  1.0 3.0
   56    60    66    67   3.04450 -1.0 2.0
   56    60    66    70   1.49850  1.0 1.0
   56    60    66    70   1.53950 -1.0 2.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    66   0.00000  1.0 1.0
   58    56    60    61   0.00000  1.0 1.0
   58    56    60    66   0.00000  1.0 1.0
   60    66    70    71   0.00000  1.0 1.0
   60    66    70    72   0.00000  1.0 1.0
   60    66    70    73   0.00000  1.0 1.0
   61    60    66    67   2.45000 -1.0 2.0
   61    60    66    70   2.45000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   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
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   49    68    47    43   4.00000 -1.0 2.0
   54    50    49    47   1.10000 -1.0 2.0
   59    55    54    49   1.10000 -1.0 2.0
   62    64    59    54   4.00000 -1.0 2.0
   68    63    62    59   1.10000 -1.0 2.0
   62    69    68    47   1.10000 -1.0 2.0
   40    48    45    46  10.50000 -1.0 2.0
   61    66    60    56   1.00000 -1.0 2.0
   60    70    66    67  10.50000 -1.0 2.0
END
