* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    134    204     386
    1     0 S   NP   _N1_     1    28.69663    96.98154   -22.90999
    2     1 S   H    _HN1     2     1.02787   102.22659   -88.34244
    3     1 S   H    _H1_     3     1.02950    67.74963    16.71348
    4     1 S   H    _H2_     4     1.02827    43.98136   168.46472
    5     1 S   CT   _CA1     5     1.50120   143.47411   111.30776
    6     5 S   HC   _HA1     6     1.09575   105.18115    97.82967
    7     5 S   CO3  _C1_     7     1.53781   112.47941   -22.37639
    8     7 S   O2Z  _O11     8     1.26372   115.00316   -42.12182
    9     7 S   O2Z  _O12     9     1.26242   114.94550   136.97585
   10     5 S   CT   _CB1    10     1.53075   107.41142  -144.20360
   11    10 S   HC   HB11    11     1.09835   109.33508   -49.75443
   12    10 S   HC   HB12    12     1.09812   110.46163    66.84493
   13    10 S   CT   _CG1    13     1.52995   112.62362  -170.73333
   14    13 S   HC   HG11    14     1.09579   110.64627   -66.42801
   15    13 S   HC   HG12    15     1.09672   109.76430    52.80506
   16    13 S   C    _CD1    16     1.51806   112.19325   173.23775
   17    16 S   O    _OE1    17     1.22733   123.27610     8.04284
   18    16 S   N    _N2_    18     1.38662   111.69933  -171.99045
   19    18 S   H    _HN2    19     1.01577   118.90991     1.58288
   20    18 S   CT1  _CA2    20     1.46190   123.37291   176.92305
   21    20 S   HC   _HA2    21     1.09736   109.38571     3.73308
   22    20 S   C    _C2_    22     1.53576   108.51047  -111.74519
   23    22 S   O    _O2_    23     1.23059   122.29825  -146.97172
   24    20 S   CT   _CB2    32     1.53328   111.65825   125.81458
   25    24 S   HC   HB21    33     1.09582   110.13888    56.28818
   26    24 S   HC   HB22    34     1.09432   109.82622   175.35894
   27    22 S   N    _N3_    24     1.38328   113.70417    40.39639
   28    27 S   H    _HN3    25     1.01577   119.60774    -3.16199
   29    24 S   S    _SG2    35     1.82716   111.56497   -64.78503
   30    27 S   CT   _CA3    26     1.45284   123.22364   177.20936
   31    30 S   HC   HA31    27     1.09549   107.49787   -64.92070
   32    30 S   HC   HA32    28     1.09557   108.00423    51.52572
   33    29 S   CT   _C14    36     1.83729    99.86296   171.15040
   34    33 S   HC   _H4_    37     1.09775   106.44913   -54.06631
   35    30 S   CO3  _C3_    29     1.52965   114.06805   173.52504
   36    35 S   O2Z  _O31    30     1.26378   116.07153    -0.91621
   37    35 S   O2Z  _O32    31     1.26429   114.41238   179.14797
   38    33 S   CO4  _C15    38     1.52527   109.81754  -167.42719
   39    38 S   O    _O35    39     1.23039   123.76236    22.30687
   40    38 S   CM   _C16    40     1.48720   118.11487  -162.04900
   41    40 S   HC   _H10    41     1.08357   115.05734  -171.41489
   42    40 S   CM   _C17    42     1.34441   121.81014     6.60102
   43    42 S   CT   _C11    43     1.51635   122.12922     3.42446
   44    42 S   OS   _O36    70     1.38476   124.76978  -176.49938
   45    43 S   CO4  _C12    44     1.52936   110.90418   143.39767
   46    45 S   O    _O34    45     1.21684   128.68031   -59.63908
   47    33 S   CT   _C13    61     1.53814   114.04279    66.55434
   48    47 S   HC   _H3_    62     1.10051   106.59615   -67.32237
   49    44 S   CT   _C18    71     1.42220   118.28798    -0.51014
   50    49 S   HC   _H11    72     1.09406   107.85389  -179.94405
   51    49 S   HC   _H12    73     1.09475   110.99319    62.09720
   52    49 S   HC   _H13    74     1.09476   110.97724   -61.99651
   53    45 S   CA   _C8_    46     1.43890   107.50364   119.60666
   54    47 S   CO4  _C19    63     1.52575   113.73221    47.26180
   55    54 S   O    _O37    64     1.22563   122.95518  -119.70716
   56    53 S   CA   _C9_    47     1.37668   105.88264    -2.82882
   57    54 S   OS   _O38    65     1.36074   111.46385    60.86911
   58    56 S   CA   _C10    48     1.38246   120.66448  -179.63738
   59    58 S   HA   _H9_    49     1.08556   120.50462  -179.70195
   60    43 S   OS   _O33    60     1.46523   107.37696  -103.55212
   61    57 S   CT   _C20    66     1.43009   115.38542   179.45824
   62    61 S   HC   _H14    67     1.09323   108.08144  -180.00000
   63    61 S   HC   _H15    68     1.09419   110.28468    61.33043
   64    61 S   HC   _H16    69     1.09420   110.28472   -61.31367
   65    58 S   CA   _C5_    50     1.40557   118.51383     0.36369
   66    65 S   CA   _C6_    51     1.41281   119.92151    -0.96489
   67    66 S   HA   _H8_    52     1.08778   119.88763  -178.99128
   68    65 S   CT   _C4_    56     1.50067   120.09291  -178.39343
   69    68 S   HC   _H5_    57     1.09428   109.96676    89.87827
   70    68 S   HC   _H6_    58     1.09505   110.86392  -149.61060
   71    68 S   HC   _H7_    59     1.09507   110.93027   -30.59742
   72    53 S   CA   _C7_    53     1.37799   131.64583   177.47586
   73    72 S   OH   _O39    54     1.36037   122.89514    -0.44762
   74    73 S   HO   _H17    55     0.97434   108.46732     0.66323
  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
  14   7   2   1   1   9   4   8   3  14  14   7  11   5   8   4
   3   2   1   1  10   7   2   8   4  10   4   2   3   2   1   1
   8   8   3   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    48    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    60    47    48    54    55    57  
   38    39    40    43    47    48    54  
   36    37  
   37  
    0  
   39    40    41    42    43    47    48    54    44  
   40    41    42    47  
   41    42    43    45    60    47    44    49  
   42    43    44  
   43    45    46    53    56    60    47    48    54    44    49    50    51    52  
   45    46    53    56    58    72    60    47    48    54    55    57    44    49  
   49    50    51    52    45    47    60  
   46    53    56    58    66    72    73    60    47    48    54  
   53    56    72    60    47  
   48    54    55    57    61    53    56    60  
   54    55    57    60  
   50    51    52  
   51    52  
   52  
    0  
   56    58    59    65    66    67    72    73    74    60  
   55    57    61    62    63    64    60  
   57    61  
   58    59    65    66    72    73    68    60  
   61    62    63    64  
   59    65    66    67    72    68    69    70    71    60  
   65    66    68    60  
   65    72  
   62    63    64  
   63    64  
   64  
    0  
   66    67    72    73    68    69    70    71  
   67    72    73    74    68    69    70    71  
   72    73    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74  
   74  
    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   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   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   317.000  1.522
   33    47   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   340.000  1.080
   40    42   549.000  1.340
   42    43   317.000  1.510
   42    44   440.000  1.360
   43    45   317.000  1.522
   43    60   320.000  1.410
   43    47   268.000  1.529
   45    46   570.000  1.229
   45    53   310.000  1.470
   53    56   469.000  1.400
   53    72   469.000  1.400
   56    58   469.000  1.400
   56    60   450.000  1.364
   58    59   367.000  1.080
   58    65   469.000  1.400
   65    66   469.000  1.400
   65    68   317.000  1.510
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   450.000  1.364
   73    74   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   47    48   340.000  1.090
   47    54   317.000  1.522
   54    55   570.000  1.229
   54    57   214.000  1.327
   57    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   44    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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  110.18000
   29    33    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    47    43    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    54    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    40    41    40.00000  117.72500
   38    40    42    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    42    43    70.00000  124.00000
   40    42    44    80.00000  120.01400
   42    40    41    35.00000  120.00000
   42    43    45    70.00000  109.06800
   42    43    60    85.00000  110.90400
   42    43    47    70.00000  112.02700
   42    44    49    90.00000  111.18400
   43    45    46    80.00000  120.40000
   43    45    53    65.00000  115.47100
   43    60    56    75.00000  111.00000
   43    47    48    37.50000  110.70000
   43    47    54    63.00000  111.10000
   45    53    56    60.00000  119.52600
   45    53    72    60.00000  119.52600
   53    45    46    75.00000  123.78400
   53    56    58    63.00000  120.00000
   53    56    60    70.00000  120.00000
   53    72    66    63.00000  120.00000
   53    72    73    70.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    65    63.00000  120.00000
   58    65    66    63.00000  120.00000
   58    65    68    70.00000  120.00000
   65    58    59    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    72    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   66    72    73    70.00000  120.00000
   72    53    56    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    73    74    35.00000  113.00000
   68    65    66    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   60    43    45    90.00000  108.74100
   60    56    58    70.00000  120.00000
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    43    45    63.00000  111.10000
   47    43    60    50.00000  109.50000
   47    54    55    80.00000  120.40000
   47    54    57    81.00000  111.40000
   54    47    48    35.00000  109.50000
   54    57    61    83.00000  116.90000
   57    54    55    83.00000  123.40000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   44    42    43    85.00000  112.85300
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    43   0.44750  1.0 1.0
   29    33    47    43  -0.17800 -1.0 2.0
   29    33    47    43   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    54   0.56750  1.0 1.0
   29    33    47    54  -0.07550 -1.0 2.0
   29    33    47    54   0.20000  1.0 3.0
   33    38    40    41   0.04550  1.0 1.0
   33    38    40    41   0.83000 -1.0 2.0
   33    38    40    41  -0.04000  1.0 3.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   33    47    54    55   0.30150 -1.0 2.0
   33    47    54    57   0.36750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    43   0.15000  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    54  -0.11250  1.0 3.0
   38    33    47    43  -0.95700  1.0 1.0
   38    33    47    43  -0.18200 -1.0 2.0
   38    33    47    43   0.29450  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    54   0.11950  1.0 1.0
   38    33    47    54   0.20300 -1.0 2.0
   38    33    47    54  -0.70800  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    44   7.00000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   1.00000 -1.0 2.0
   40    42    43    45  -0.51250  1.0 1.0
   40    42    43    45  -0.88800 -1.0 2.0
   40    42    43    45   0.08850  1.0 3.0
   40    42    43    60   0.39000  1.0 1.0
   40    42    43    60  -0.05800 -1.0 2.0
   40    42    43    60  -0.55150  1.0 3.0
   40    42    43    47   0.09850  1.0 1.0
   40    42    43    47   0.15250 -1.0 2.0
   40    42    43    47  -0.50650  1.0 3.0
   40    42    44    49  -2.26850  1.0 1.0
   40    42    44    49   3.39050 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    43    45    46   0.30150 -1.0 2.0
   42    43    45    53   0.65300  1.0 1.0
   42    43    45    53  -0.03850 -1.0 2.0
   42    43    45    53   0.33900  1.0 3.0
   42    43    60    56  -0.25600  1.0 1.0
   42    43    60    56  -0.40050 -1.0 2.0
   42    43    60    56   0.34700  1.0 3.0
   42    43   -47    33   0.34400  1.0 1.0
   42    43   -47    33   0.09450 -1.0 2.0
   42    43   -47    33   0.11100  1.0 3.0
   42    43    47    48   0.15000  1.0 3.0
   42    43    47    54  -0.98800  1.0 1.0
   42    43    47    54   0.48800 -1.0 2.0
   42    43    47    54   0.76800  1.0 3.0
   42    44    49    50   0.08050  1.0 3.0
   42    44    49    51   0.08050  1.0 3.0
   42    44    49    52   0.08050  1.0 3.0
   43    42    44    49   2.00000 -1.0 2.0
   43    45   -53    56   2.26350  1.0 1.0
   43    45   -53    56   0.76750 -1.0 2.0
   43    45   -53    56   0.22500  1.0 3.0
   43    45    53    72   2.26350  1.0 1.0
   43    45    53    72   0.76750 -1.0 2.0
   43    45    53    72   0.22500  1.0 3.0
   43    47    54    55   0.30150 -1.0 2.0
   43    47    54    57   0.36750  1.0 3.0
   45    43   -60    56  -0.25600  1.0 1.0
   45    43   -60    56  -0.40050 -1.0 2.0
   45    43   -60    56   0.34700  1.0 3.0
   45    43    47    33  -0.95700  1.0 1.0
   45    43    47    33  -0.18200 -1.0 2.0
   45    43    47    33   0.29450  1.0 3.0
   45    43    47    48  -0.11250  1.0 3.0
   45    43    47    54   0.11950  1.0 1.0
   45    43    47    54   0.20300 -1.0 2.0
   45    43    47    54  -0.70800  1.0 3.0
   45    53    56    58   3.62500 -1.0 2.0
   45    53   -56    60   3.62500 -1.0 2.0
   45    53    72    66   3.62500 -1.0 2.0
   45    53    72    73   3.62500 -1.0 2.0
   46    45    53    56   1.05000 -1.0 2.0
   46    45    53    72   1.05000 -1.0 2.0
   53    56    58    59   3.62500 -1.0 2.0
   53    56    58    65   3.62500 -1.0 2.0
   53    56   -60    43   1.63200 -1.0 2.0
   53    72    73    74   0.84100 -1.0 2.0
   56    53    72    66   3.62500 -1.0 2.0
   56    53    72    73   3.62500 -1.0 2.0
   56    58   -65    66   3.62500 -1.0 2.0
   56    58    65    68   3.62500 -1.0 2.0
   58    56    60    43   1.63200 -1.0 2.0
   58    65    66    67   3.62500 -1.0 2.0
   58    65    66    72   3.62500 -1.0 2.0
   58    65    68    69   0.00000  1.0 1.0
   58    65    68    70   0.00000  1.0 1.0
   58    65    68    71   0.00000  1.0 1.0
   59    58    65    66   3.62500 -1.0 2.0
   59    58    65    68   3.62500 -1.0 2.0
   65    66   -72    53   3.62500 -1.0 2.0
   65    66    72    73   3.62500 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    71   0.00000  1.0 1.0
   66    72    73    74   0.84100 -1.0 2.0
   67    66    72    53   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   72    53   -56    58   3.62500 -1.0 2.0
   72    53    56    60   3.62500 -1.0 2.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    72   3.62500 -1.0 2.0
   60    43    45    46   0.30150 -1.0 2.0
   60    43   -45    53   0.65300  1.0 1.0
   60    43   -45    53  -0.03850 -1.0 2.0
   60    43   -45    53   0.33900  1.0 3.0
   60    43    47    33   0.62750  1.0 1.0
   60    43    47    33  -0.30950 -1.0 2.0
   60    43    47    33   0.27300  1.0 3.0
   60    43    47    48   0.23400  1.0 3.0
   60    43    47    54  -0.09450  1.0 1.0
   60    43    47    54  -1.12950 -1.0 2.0
   60    43    47    54   0.54000  1.0 3.0
   60    56    58    59   3.62500 -1.0 2.0
   60    56    58    65   3.62500 -1.0 2.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.65300  1.0 1.0
   47    33   -38    40  -0.03850 -1.0 2.0
   47    33   -38    40   0.33900  1.0 3.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43    45    53   0.05850 -1.0 2.0
   47    43    45    53   0.17250  1.0 3.0
   47    43    60    56  -0.32850  1.0 1.0
   47    43    60    56  -0.35800 -1.0 2.0
   47    43    60    56   0.33950  1.0 3.0
   47    54    57    61   1.63150  1.0 1.0
   47    54    57    61   2.92000 -1.0 2.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    57   0.00000  1.0 1.0
   54    57    61    62   0.08050  1.0 3.0
   54    57    61    63   0.08050  1.0 3.0
   54    57    61    64   0.08050  1.0 3.0
   55    54    57    61   3.00000 -1.0 2.0
   44    42    43    45   0.09700  1.0 1.0
   44    42    43    45   0.15600 -1.0 2.0
   44    42    43    45  -0.50800  1.0 3.0
   44    42    43    60   0.09700  1.0 1.0
   44    42    43    60   0.15600 -1.0 2.0
   44    42    43    60  -0.50800  1.0 3.0
   44    42    43    47   0.09700  1.0 1.0
   44    42    43    47   0.15600 -1.0 2.0
   44    42    43    47  -0.50800  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
   33    40    38    39  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   43    44    42    40   1.10000 -1.0 2.0
   43    53    45    46  10.50000 -1.0 2.0
   56    72    53    45   4.00000 -1.0 2.0
   58    60    56    53   4.00000 -1.0 2.0
   65    59    58    56   1.10000 -1.0 2.0
   66    68    65    58   4.00000 -1.0 2.0
   72    67    66    65   1.10000 -1.0 2.0
   66    73    72    53   4.00000 -1.0 2.0
   47    57    54    55  10.50000 -1.0 2.0
END
