* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    130    190     375
    1     0 S   NP   _N1_     1    28.78537    93.73638   -20.43969
    2     1 S   H    _HN1     2     1.02964    99.69660    47.72824
    3     1 S   H    _H1_     3     1.02832    25.87088   156.92114
    4     1 S   H    _H2_     4     1.02773    87.54576   -60.47742
    5     1 S   CT   _CA1     5     1.50160   135.12297   179.87967
    6     5 S   HC   _HA1     6     1.09576   105.20915    48.67623
    7     5 S   CO3  _C1_     7     1.53877   112.30022   -71.40995
    8     7 S   O2Z  _O11     8     1.26363   115.02764   -42.74929
    9     7 S   O2Z  _O12     9     1.26249   114.91742   136.17389
   10     5 S   CT   _CB1    10     1.53092   107.36590   166.51900
   11    10 S   HC   HB11    11     1.09814   109.39359   -50.08908
   12    10 S   HC   HB12    12     1.09817   110.35369    66.43754
   13    10 S   CT   _CG1    13     1.52994   112.69839  -171.27292
   14    13 S   HC   HG11    14     1.09489   110.18831   -59.99492
   15    13 S   HC   HG12    15     1.09621   110.23515    58.93620
   16    13 S   C    _CD1    16     1.51863   112.04466   178.83635
   17    16 S   O    _OE1    17     1.22755   123.03963   -19.31322
   18    16 S   N    _N2_    18     1.38557   111.92563   161.87501
   19    18 S   H    _HN2    19     1.01628   118.92437    -0.35663
   20    18 S   CT1  _CA2    20     1.46262   123.59094  -178.67929
   21    20 S   HC   _HA2    21     1.09731   109.30822   -17.68211
   22    20 S   C    _C2_    22     1.53414   108.16094  -133.35317
   23    22 S   O    _O2_    23     1.23004   122.29937  -145.72328
   24    20 S   CT   _CB2    32     1.53482   111.32919   104.56843
   25    24 S   HC   HB21    33     1.09596   109.78667    53.77360
   26    24 S   HC   HB22    34     1.09493   110.73859   171.94685
   27    22 S   N    _N3_    24     1.38527   113.29897    41.67227
   28    27 S   H    _HN3    25     1.01537   118.89537    -0.68842
   29    24 S   S    _SG2    35     1.83105   111.68059   -68.80341
   30    27 S   CT   _CA3    26     1.45453   123.46463   175.10947
   31    30 S   HC   HA31    27     1.09523   109.22663    24.20211
   32    30 S   HC   HA32    28     1.09494   107.11016   141.20990
   33    29 S   CA   _C14    36     1.80270    99.59465   149.10807
   34    30 S   CO3  _C3_    29     1.52935   113.18584   -99.27047
   35    34 S   O2Z  _O31    30     1.26399   115.45378   -43.01642
   36    34 S   O2Z  _O32    31     1.26363   114.95328   137.94066
   37    33 S   CA   _C13    37     1.41149   120.22890    93.87469
   38    37 S   CA   _C12    38     1.40285   118.81429  -179.95154
   39    38 S   HA   _H17    39     1.08901   119.94759  -179.86878
   40    37 S   CT   _C16    70     1.51096   122.93877     0.14804
   41    40 S   F    F1__    71     1.36425   113.58882   178.42729
   42    40 S   F    F2__    72     1.36155   112.84469   -61.92635
   43    40 S   F    F3__    73     1.36182   112.92134    58.77080
   44    38 S   CA   _C11    40     1.40107   120.43494    -0.65072
   45    44 S   CA   _C10    41     1.40254   123.54408    -0.10087
   46    44 S   NO2  _N6_    67     1.44524   116.00911  -177.60559
   47    46 S   ON   _O36    68     1.23704   117.01741   100.53003
   48    46 S   ON   _O35    69     1.23755   116.84169   -78.13890
   49    33 S   CA   _C15    42     1.42212   121.15094   -87.20147
   50    45 S   NE   _N4_    46     1.39027   122.43074  -179.91607
   51    49 S   NO2  _N5_    43     1.45096   118.33106     3.04973
   52    51 S   ON   _O34    44     1.23771   116.79482    96.55780
   53    51 S   ON   _O33    45     1.23767   117.05273   -82.87164
   54    50 S   CT   _C6_    47     1.46538   118.99557   113.29379
   55    54 S   HC   _H8_    48     1.09635   109.58323   112.93526
   56    54 S   HC   _H9_    49     1.09795   110.49271    -4.17138
   57    50 S   CT   _C7_    57     1.46491   118.85756   -66.45141
   58    57 S   HC   _H10    58     1.09631   109.59438   113.03017
   59    57 S   HC   _H11    59     1.09804   110.53458    -3.97000
   60    54 S   CT   _C5_    50     1.52977   112.01612  -124.66490
   61    60 S   HC   _H6_    51     1.09546   110.58511   -62.10918
   62    60 S   HC   _H7_    52     1.09525   110.11787    55.82643
   63    57 S   CT   _C8_    60     1.52982   111.93559  -124.52045
   64    63 S   HC   _H12    61     1.09547   110.57968   -62.03540
   65    63 S   HC   _H13    62     1.09524   110.12183    55.87339
   66    60 S   CT   _C4_    53     1.52101   111.33811   176.98020
   67    66 S   HC   _H3_    54     1.09467   111.02810   -60.52754
   68    66 S   HC   _H4_    55     1.09469   110.96880    60.02346
   69    66 S   HC   _H5_    56     1.09450   110.25183   179.75853
   70    63 S   CT   _C9_    63     1.52093   111.35976   177.02178
   71    70 S   HC   _H14    64     1.09467   111.02659   -60.51631
   72    70 S   HC   _H15    65     1.09467   110.97068    60.04095
   73    70 S   HC   _H16    66     1.09450   110.24974   179.77272
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  14   2   1   1  11  12   4   5   2   1   1   9  16   4   1   1
   6  15   2   1   1  13   6   5  10   5   4   6   5   4   6   5
   4   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    49    51    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    49    51    52    53    50    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    49    51    46    40    41    42    43  
   39    44    45    49    50    46    47    48    40    41    42    43  
   44    45    46    40  
   41    42    43    44    49  
   42    43  
   43  
    0  
   45    49    51    50    54    57    46    47    48  
   49    51    52    53    50    54    55    56    60    57    58    59    63    46    47    48  
   47    48    49    50  
   48  
    0  
   51    52    53    50    54    57  
   54    55    56    60    61    62    66    57    58    59    63    64    65    70    51  
   52    53  
   53  
    0  
   55    56    60    61    62    66    67    68    69    57    58    59    63  
   56    60    61    62    66    57  
   60    61    62    66    57  
   58    59    63    64    65    70    71    72    73    60  
   59    63    64    65    70  
   63    64    65    70  
   61    62    66    67    68    69  
   62    66    67    68    69  
   66    67    68    69  
   64    65    70    71    72    73  
   65    70    71    72    73  
   70    71    72    73  
   67    68    69  
   68    69  
   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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   39   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   40   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   42   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   43   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   44   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   47   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   48   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   49   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   51   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   52   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   53   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   250.000  1.760
   33    37   469.000  1.400
   33    49   469.000  1.400
   37    38   469.000  1.400
   37    40   317.000  1.510
   38    39   367.000  1.080
   38    44   469.000  1.400
   44    45   469.000  1.400
   44    46   400.000  1.460
   45    49   469.000  1.400
   45    50   481.000  1.340
   49    51   400.000  1.460
   51    52   550.000  1.225
   51    53   550.000  1.225
   50    54   382.000  1.448
   50    57   382.000  1.448
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   46    47   550.000  1.225
   46    48   550.000  1.225
   40    41   367.000  1.332
   40    42   367.000  1.332
   40    43   367.000  1.332
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    49    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    40    70.00000  120.00000
   33    49    45    63.00000  120.00000
   33    49    51    85.00000  120.00000
   37    38    39    35.00000  120.00000
   37    38    44    63.00000  120.00000
   37    40    41    50.00000  109.50000
   37    40    42    50.00000  109.50000
   37    40    43    50.00000  109.50000
   38    44    45    63.00000  120.00000
   38    44    46    85.00000  120.00000
   44    38    39    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    45    50    70.00000  120.10000
   44    46    47    80.00000  117.50000
   44    46    48    80.00000  117.50000
   45    49    51    85.00000  120.00000
   45    50    54    50.00000  120.00000
   45    50    57    50.00000  120.00000
   49    33    37    63.00000  120.00000
   49    51    52    80.00000  117.50000
   49    51    53    80.00000  117.50000
   53    51    52    80.00000  125.30000
   50    45    49    70.00000  120.10000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    60    80.00000  111.61500
   50    57    58    35.00000  109.50000
   50    57    59    35.00000  109.50000
   50    57    63    80.00000  111.61500
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    66    58.35000  112.70000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    37.50000  110.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   57    50    54    50.00000  115.00000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    70    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    37.50000  110.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    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
   46    44    45    85.00000  120.00000
   48    46    47    80.00000  125.30000
   40    37    38    70.00000  120.00000
   42    40    41    77.00000  109.10000
   43    40    41    77.00000  109.10000
   43    40    42    77.00000  109.10000
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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.63250 -1.0 2.0
   24    29    33    49   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    40   3.62500 -1.0 2.0
   29    33    49    45   3.62500 -1.0 2.0
   29    33    49    51   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    44   3.62500 -1.0 2.0
   33    37    40    41   0.00000  1.0 1.0
   33    37    40    42   0.00000  1.0 1.0
   33    37    40    43   0.00000  1.0 1.0
   33    49    51    52   0.69950 -1.0 2.0
   33    49    51    53   0.69950 -1.0 2.0
   37    33    49    45   3.62500 -1.0 2.0
   37    33    49    51   3.62500 -1.0 2.0
   37    38   -44    45   3.62500 -1.0 2.0
   37    38    44    46   3.62500 -1.0 2.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    42   0.00000  1.0 1.0
   38    37    40    43   0.00000  1.0 1.0
   38    44    45    49   3.62500 -1.0 2.0
   38    44    45    50   3.62500 -1.0 2.0
   38    44    46    47   0.69950 -1.0 2.0
   38    44    46    48   0.69950 -1.0 2.0
   39    38    44    45   3.62500 -1.0 2.0
   39    38    44    46   3.62500 -1.0 2.0
   44    45   -49    33   3.62500 -1.0 2.0
   44    45    49    51   3.62500 -1.0 2.0
   44    45    50    54  -1.00000  1.0 1.0
   44    45    50    54   1.25000 -1.0 2.0
   44    45    50    57  -1.00000  1.0 1.0
   44    45    50    57   1.25000 -1.0 2.0
   45    44    46    47   0.69950 -1.0 2.0
   45    44    46    48   0.69950 -1.0 2.0
   45    49    51    52   0.69950 -1.0 2.0
   45    49    51    53   0.69950 -1.0 2.0
   45    50    54    55   0.00000  1.0 1.0
   45    50    54    56   0.00000  1.0 1.0
   45    50    54    60  -0.12500  1.0 1.0
   45    50    54    60  -0.12500 -1.0 2.0
   45    50    54    60   0.25000  1.0 3.0
   45    50    57    58   0.00000  1.0 1.0
   45    50    57    59   0.00000  1.0 1.0
   45    50    57    63  -0.12500  1.0 1.0
   45    50    57    63  -0.12500 -1.0 2.0
   45    50    57    63   0.25000  1.0 3.0
   49    33   -37    38   3.62500 -1.0 2.0
   49    33    37    40   3.62500 -1.0 2.0
   49    45    50    54  -1.00000  1.0 1.0
   49    45    50    54   1.25000 -1.0 2.0
   49    45    50    57  -1.00000  1.0 1.0
   49    45    50    57   1.25000 -1.0 2.0
   50    45    49    33   3.62500 -1.0 2.0
   50    45    49    51   3.62500 -1.0 2.0
   50    54    60    61   0.22950  1.0 3.0
   50    54    60    62   0.22950  1.0 3.0
   50    54    60    66   1.26750  1.0 1.0
   50    54    60    66  -0.00950 -1.0 2.0
   50    54    60    66   0.30600  1.0 3.0
   50    57    63    64   0.22950  1.0 3.0
   50    57    63    65   0.22950  1.0 3.0
   50    57    63    70   1.26750  1.0 1.0
   50    57    63    70  -0.00950 -1.0 2.0
   50    57    63    70   0.30600  1.0 3.0
   54    50    57    58   0.00000  1.0 1.0
   54    50    57    59   0.00000  1.0 1.0
   54    50    57    63   0.00000  1.0 1.0
   54    60    66    67   0.15000  1.0 3.0
   54    60    66    68   0.15000  1.0 3.0
   54    60    66    69   0.15000  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    66   0.15000  1.0 3.0
   56    54    60    61   0.15000  1.0 3.0
   56    54    60    62   0.15000  1.0 3.0
   56    54    60    66   0.15000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    69   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    69   0.15000  1.0 3.0
   57    50    54    55   0.00000  1.0 1.0
   57    50    54    56   0.00000  1.0 1.0
   57    50    54    60   0.00000  1.0 1.0
   57    63    70    71   0.15000  1.0 3.0
   57    63    70    72   0.15000  1.0 3.0
   57    63    70    73   0.15000  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    70   0.15000  1.0 3.0
   59    57    63    64   0.15000  1.0 3.0
   59    57    63    65   0.15000  1.0 3.0
   59    57    63    70   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    73   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    73   0.15000  1.0 3.0
   46    44    45    49   3.62500 -1.0 2.0
   46    44    45    50   3.62500 -1.0 2.0
   40    37    38    39   3.62500 -1.0 2.0
   40    37    38    44   3.62500 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    33    29   4.00000 -1.0 2.0
   38    40    37    33   4.00000 -1.0 2.0
   44    39    38    37   1.10000 -1.0 2.0
   45    46    44    38   4.00000 -1.0 2.0
   49    50    45    44   4.00000 -1.0 2.0
   45    51    49    33   4.00000 -1.0 2.0
   52    49    51    53  10.50000 -1.0 2.0
   57    45    50    54   1.00000 -1.0 2.0
   47    44    46    48  10.50000 -1.0 2.0
END
