* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    131    221     393
    1     0 S   NP   _N1_     1    29.00006    97.07405   -18.54958
    2     1 S   H    _HN1     2     1.02838    55.49119   135.62568
    3     1 S   H    _H1_     3     1.02792    75.18905   -99.92462
    4     1 S   H    _H2_     4     1.02946    76.55961    13.45514
    5     1 S   CT   _CA1     5     1.50171   166.24735   136.09252
    6     5 S   HC   _HA1     6     1.09575   105.15931    59.14820
    7     5 S   CO3  _C1_     7     1.53797   112.10259   -60.91575
    8     7 S   O2Z  _O11     8     1.26447   115.18118   -48.12085
    9     7 S   O2Z  _O12     9     1.26191   114.95858   130.79364
   10     5 S   CT   _CB1    10     1.53084   107.33902   176.91231
   11    10 S   HC   HB11    11     1.09831   109.39422   -48.81347
   12    10 S   HC   HB12    12     1.09821   110.39816    67.74103
   13    10 S   CT   _CG1    13     1.53072   112.78089  -169.81794
   14    13 S   HC   HG11    14     1.09466   110.34208   -62.72996
   15    13 S   HC   HG12    15     1.09636   110.05195    56.48427
   16    13 S   C    _CD1    16     1.51887   112.04481   176.75418
   17    16 S   O    _OE1    17     1.22784   123.05582    -2.28319
   18    16 S   N    _N2_    18     1.38693   112.03387   177.95397
   19    18 S   H    _HN2    19     1.01623   119.11684     1.12501
   20    18 S   CT1  _CA2    20     1.46462   123.13712  -179.18147
   21    20 S   HC   _HA2    21     1.09742   109.16963    -1.42958
   22    20 S   C    _C2_    22     1.53381   109.03263  -117.08137
   23    22 S   O    _O2_    23     1.23062   122.25550  -149.72415
   24    20 S   CT   _CB2    32     1.53552   111.66128   120.09908
   25    24 S   HC   HB21    33     1.09152   109.44036    63.85067
   26    24 S   HC   HB22    34     1.09540   110.30251  -178.45769
   27    22 S   N    _N3_    24     1.38334   113.66997    37.83820
   28    27 S   H    _HN3    25     1.01615   119.48319    -3.84369
   29    24 S   S    _SG2    35     1.82728   110.50522   -59.40028
   30    27 S   CT   _CA3    26     1.45276   123.13421   176.91086
   31    30 S   HC   HA31    27     1.09553   107.56852   -62.79588
   32    30 S   HC   HA32    28     1.09559   107.89265    53.59481
   33    29 S   CT   _C12    36     1.92490   102.18424   148.80510
   34    30 S   CO3  _C3_    29     1.52932   114.16426   175.56478
   35    34 S   O2Z  _O31    30     1.26363   116.08441    -0.12195
   36    34 S   O2Z  _O32    31     1.26437   114.40257   179.91607
   37    33 S   CA   _C14    37     1.56911   106.27307    62.96809
   38    33 S   CO4  _C13    56     1.55307   107.28118  -177.57336
   39    38 S   O    _O34    57     1.22971   124.30306  -131.77531
   40    37 S   CA   _C19    38     1.44472   123.82126    59.92843
   41    38 S   CA   _C8_    58     1.48329   117.24284    54.18047
   42    40 S   CA   _C18    39     1.41423   120.47833   177.36396
   43    41 S   CA   _C9_    59     1.40051   118.54925    31.27375
   44    42 S   CA   _C17    40     1.39529   120.93459     0.01978
   45    42 S   CO4  _C23    48     1.47463   119.99135   176.93095
   46    45 S   O    _O36    49     1.22445   122.38134   159.71899
   47    43 S   CA   _C4_    60     1.39827   120.07811  -178.16933
   48    47 S   HA   _H4_    61     1.08600   120.60368   179.83214
   49    43 S   CO4  _C10    70     1.49090   120.50398     1.63877
   50    49 S   O    _O33    71     1.23095   119.59946   179.19765
   51    44 S   CA   _C16    41     1.38050   119.73165     3.64696
   52    51 S   HA   _H6_    42     1.08749   119.29118   176.17162
   53    44 S   OH   _O38    46     1.36792   124.06673  -179.29891
   54    53 S   HO   _H8_    47     0.97376   109.05717     6.15431
   55    45 S   CM   _C22    50     1.46724   116.54108   -24.62460
   56    55 S   HC   _H7_    51     1.08657   116.06396  -157.14021
   57    47 S   CA   _C5_    62     1.39353   119.41738    -0.17694
   58    33 S   CT   _C11    72     1.59452   107.41837   -67.81318
   59    58 S   OM   _O40    73     1.33072   112.42989  -169.34796
   60    58 S   HC   _H3_    74     1.09591   107.69226    56.62225
   61    37 S   CA   _C15    43     1.41987   120.70862  -117.54990
   62    55 S   CMA  _C21    52     1.34018   123.04601    23.17155
   63    62 S   OM   _O37    53     1.26197   129.43009  -179.37317
   64    57 S   CA   _C6_    63     1.39300   120.96023    -1.11171
   65    64 S   HA   _H5_    64     1.08653   120.19907  -179.81337
   66    57 S   OH   _O42    68     1.36718   120.80027   178.49897
   67    66 S   HO   _H11    69     0.97686   108.65563    -9.89211
   68    61 S   OH   _O39    44     1.36967   121.50397     7.79843
   69    68 S   HO   _H9_    45     0.97109   110.20356  -173.91724
   70    40 S   CO4  _C20    54     1.50689   125.02919    -3.89586
   71    70 S   O    _O35    55     1.22570   122.30584    33.82387
   72    41 S   CA   _C7_    65     1.39943   121.62646  -148.13794
   73    72 S   OH   _O41    66     1.36816   122.98504    -0.05234
   74    73 S   HO   _H10    67     0.97479   108.80800     2.34877
  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  11   5   4   3
  17   2   1   1  19  13   4  14  12  13  12  10   8   3  10   4
   6   3   6   3   2   1   5   3   6   3   1   1   3   3   2   6
   3   2   1   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    61    38    39    41    49    58    59    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    51    61    68    70    38    39    41    43    72    49    50    58    59    60  
   35    36  
   36  
    0  
   40    42    44    51    52    61    68    69    45    62    70    71    38    39    41    49    58    59    60  
   39    41    43    47    64    72    73    49    58    59    60    40    61  
   41    43    72    58  
   42    44    51    61    68    53    45    46    55    62    63    70    71    58  
   43    47    48    57    64    65    72    73    74    49    50    58  
   44    51    52    61    53    54    45    46    55    56    62    70    71  
   47    48    57    64    72    73    66    49    50    58    59    60  
   51    52    61    68    53    54    45    46    55    70  
   46    55    56    62    63    70    51    53  
   55    56    62  
   48    57    64    65    72    66    67    49    50    58  
   57    64    66    49  
   50    58    59    60    57    72  
   58    59    60  
   52    61    68    69    53    54  
   61    68    53  
   54    61  
    0  
   56    62    63    70    71  
   62    63    70  
   64    65    72    73    66    67  
   59    60    61  
   60  
    0  
   68    69    70  
   63    70    71  
   70    71  
   65    72    73    74    66    67  
   72    73    66  
   67    72  
    0  
   69  
    0  
   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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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    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   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.522
   33    58   268.000  1.529
   37    40   469.000  1.400
   37    61   469.000  1.400
   40    42   469.000  1.400
   40    70   310.000  1.470
   42    44   469.000  1.400
   42    45   310.000  1.470
   44    51   469.000  1.400
   44    53   450.000  1.364
   51    52   367.000  1.080
   51    61   469.000  1.400
   61    68   450.000  1.364
   68    69   553.000  0.945
   53    54   553.000  0.945
   45    46   570.000  1.229
   45    55   320.000  1.462
   55    56   340.000  1.080
   55    62   465.000  1.376
   62    63   745.000  1.250
   62    70   270.000  1.476
   70    71   570.000  1.229
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    43   469.000  1.400
   41    72   469.000  1.400
   43    47   469.000  1.400
   43    49   310.000  1.470
   47    48   367.000  1.080
   47    57   469.000  1.400
   57    64   469.000  1.400
   57    66   450.000  1.364
   64    65   367.000  1.080
   64    72   469.000  1.400
   72    73   450.000  1.364
   73    74   553.000  0.945
   66    67   553.000  0.945
   49    50   570.000  1.229
   49    58   317.000  1.522
   58    59   570.000  1.307
   58    60   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    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   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    37    80.00000  109.48900
   29    33    38    75.00000  110.18000
   29    33    58    75.00000  111.63000
   33    37    40    70.00000  120.00000
   33    37    61    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    58    49    63.00000  111.10000
   33    58    59    50.00000  109.50000
   33    58    60    37.50000  110.70000
   37    40    42    63.00000  120.00000
   37    40    70    60.00000  119.52600
   37    61    51    63.00000  120.00000
   37    61    68    70.00000  120.00000
   40    42    44    63.00000  120.00000
   40    42    45    60.00000  119.52600
   40    70    62    60.00000  117.44000
   40    70    71    75.00000  123.78400
   42    44    51    63.00000  120.00000
   42    44    53    70.00000  120.00000
   42    45    46    75.00000  123.78400
   42    45    55    65.00000  117.02400
   44    51    52    35.00000  120.00000
   44    51    61    63.00000  120.00000
   44    53    54    35.00000  113.00000
   51    61    68    70.00000  120.00000
   61    37    40    63.00000  120.00000
   61    51    52    35.00000  120.00000
   61    68    69    35.00000  113.00000
   53    44    51    70.00000  120.00000
   45    42    44    60.00000  119.52600
   45    55    56    40.00000  117.72500
   45    55    62    60.00000  125.92000
   55    45    46    80.00000  123.72100
   55    62    63    65.00000  137.10300
   55    62    70    65.00000  114.61000
   62    55    56    40.00000  120.50800
   62    70    71    80.00000  120.81000
   70    40    42    60.00000  119.52600
   70    62    63    85.00000  116.28000
   38    33    37    70.00000  110.93000
   38    41    43    60.00000  119.52600
   38    41    72    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    43    47    63.00000  120.00000
   41    43    49    60.00000  119.52600
   41    72    64    63.00000  120.00000
   41    72    73    70.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    57    63.00000  120.00000
   43    49    50    75.00000  123.78400
   43    49    58    65.00000  115.47100
   47    57    64    63.00000  120.00000
   47    57    66    70.00000  120.00000
   57    47    48    35.00000  120.00000
   57    64    65    35.00000  120.00000
   57    64    72    63.00000  120.00000
   57    66    67    35.00000  113.00000
   64    72    73    70.00000  120.00000
   72    41    43    63.00000  120.00000
   72    64    65    35.00000  120.00000
   72    73    74    35.00000  113.00000
   66    57    64    70.00000  120.00000
   49    43    47    60.00000  119.52600
   49    58    59    90.00000  108.74100
   49    58    60    35.00000  109.50000
   58    33    37    70.00000  112.17500
   58    33    38    63.00000  111.10000
   58    49    50    80.00000  120.40000
   60    58    59    45.00000  125.66300
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    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    61  -0.16000  1.0 1.0
   29    33    37    61  -0.03200 -1.0 2.0
   29    33    37    61   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    58    49   0.56750  1.0 1.0
   29    33    58    49  -0.07550 -1.0 2.0
   29    33    58    49   0.20000  1.0 3.0
   29    33    58    59   0.56750  1.0 1.0
   29    33    58    59  -0.07550 -1.0 2.0
   29    33    58    59   0.20000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   33    37    40    42   3.62500 -1.0 2.0
   33    37    40    70   3.62500 -1.0 2.0
   33    37    61    51   3.62500 -1.0 2.0
   33    37    61    68   3.62500 -1.0 2.0
   33    38    41    43   2.26350  1.0 1.0
   33    38    41    43   0.76750 -1.0 2.0
   33    38    41    43   0.22500  1.0 3.0
   33    38    41    72   2.26350  1.0 1.0
   33    38    41    72   0.76750 -1.0 2.0
   33    38    41    72   0.22500  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    41   0.65300  1.0 1.0
   37    33    38    41  -0.03850 -1.0 2.0
   37    33    38    41   0.33900  1.0 3.0
   37    33    58    49   0.56750  1.0 1.0
   37    33    58    49  -0.07550 -1.0 2.0
   37    33    58    49   0.20000  1.0 3.0
   37    33    58    59  -0.64350  1.0 1.0
   37    33    58    59  -0.04200 -1.0 2.0
   37    33    58    59   0.19800  1.0 3.0
   37    33    58    60   0.43200  1.0 3.0
   37    40    42    44   3.62500 -1.0 2.0
   37    40    42    45   3.62500 -1.0 2.0
   37    40    70    62  -0.11500  1.0 1.0
   37    40    70    62   1.10450 -1.0 2.0
   37    40    70    62  -0.48050  1.0 3.0
   37    40    70    71   1.05000 -1.0 2.0
   37    61    68    69   0.84100 -1.0 2.0
   40    37    61    51   3.62500 -1.0 2.0
   40    37    61    68   3.62500 -1.0 2.0
   40    42   -44    51   3.62500 -1.0 2.0
   40    42    44    53   3.62500 -1.0 2.0
   40    42    45    46   1.05000 -1.0 2.0
   40    42    45    55  -0.11500  1.0 1.0
   40    42    45    55   1.10450 -1.0 2.0
   40    42    45    55  -0.48050  1.0 3.0
   42    40    70    62  -0.11500  1.0 1.0
   42    40    70    62   1.10450 -1.0 2.0
   42    40    70    62  -0.48050  1.0 3.0
   42    40    70    71   1.05000 -1.0 2.0
   42    44    51    52   3.62500 -1.0 2.0
   42    44    51    61   3.62500 -1.0 2.0
   42    44    53    54   0.84100 -1.0 2.0
   42    45    55    56   1.64500 -1.0 2.0
   42    45   -55    62  -1.65800  1.0 1.0
   42    45   -55    62   0.77650 -1.0 2.0
   44    42    45    46   1.05000 -1.0 2.0
   44    42    45    55  -0.11500  1.0 1.0
   44    42    45    55   1.10450 -1.0 2.0
   44    42    45    55  -0.48050  1.0 3.0
   44    51   -61    37   3.62500 -1.0 2.0
   44    51    61    68   3.62500 -1.0 2.0
   51    44    53    54   0.84100 -1.0 2.0
   51    61    68    69   0.84100 -1.0 2.0
   52    51    61    37   3.62500 -1.0 2.0
   52    51    61    68   3.62500 -1.0 2.0
   61    37   -40    42   3.62500 -1.0 2.0
   61    37    40    70   3.62500 -1.0 2.0
   53    44    51    52   3.62500 -1.0 2.0
   53    44    51    61   3.62500 -1.0 2.0
   45    42    44    51   3.62500 -1.0 2.0
   45    42    44    53   3.62500 -1.0 2.0
   45    55    62    63   7.00000 -1.0 2.0
   45    55    62    70   7.00000 -1.0 2.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    62   1.00000 -1.0 2.0
   55    62   -70    40  -1.65800  1.0 1.0
   55    62   -70    40   0.77650 -1.0 2.0
   55    62    70    71   1.00000 -1.0 2.0
   56    55    62    63   7.00000 -1.0 2.0
   56    55    62    70   7.00000 -1.0 2.0
   63    62    70    40   1.50000 -1.0 2.0
   63    62    70    71  -0.11900  1.0 1.0
   63    62    70    71   0.76850 -1.0 2.0
   63    62    70    71   0.14100  1.0 3.0
   70    40    42    44   3.62500 -1.0 2.0
   70    40   -42    45   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    61   0.04300 -1.0 2.0
   38    33    58    49   0.11950  1.0 1.0
   38    33    58    49   0.20300 -1.0 2.0
   38    33    58    49  -0.70800  1.0 3.0
   38    33    58    59  -0.09450  1.0 1.0
   38    33    58    59  -1.12950 -1.0 2.0
   38    33    58    59   0.54000  1.0 3.0
   38    33    58    60  -0.11250  1.0 3.0
   38    41    43    47   3.62500 -1.0 2.0
   38    41   -43    49   3.62500 -1.0 2.0
   38    41    72    64   3.62500 -1.0 2.0
   38    41    72    73   3.62500 -1.0 2.0
   39    38    41    43   1.05000 -1.0 2.0
   39    38    41    72   1.05000 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    57   3.62500 -1.0 2.0
   41    43    49    50   1.05000 -1.0 2.0
   41    43    49    58   2.26350  1.0 1.0
   41    43    49    58   0.76750 -1.0 2.0
   41    43    49    58   0.22500  1.0 3.0
   41    72    73    74   0.84100 -1.0 2.0
   43    41    72    64   3.62500 -1.0 2.0
   43    41    72    73   3.62500 -1.0 2.0
   43    47   -57    64   3.62500 -1.0 2.0
   43    47    57    66   3.62500 -1.0 2.0
   43    49   -58    33   0.05850 -1.0 2.0
   43    49   -58    33   0.17250  1.0 3.0
   43    49    58    59   0.65300  1.0 1.0
   43    49    58    59  -0.03850 -1.0 2.0
   43    49    58    59   0.33900  1.0 3.0
   43    49    58    60   0.00000  1.0 1.0
   47    43    49    50   1.05000 -1.0 2.0
   47    43    49    58   2.26350  1.0 1.0
   47    43    49    58   0.76750 -1.0 2.0
   47    43    49    58   0.22500  1.0 3.0
   47    57    64    65   3.62500 -1.0 2.0
   47    57    64    72   3.62500 -1.0 2.0
   47    57    66    67   0.84100 -1.0 2.0
   48    47    57    64   3.62500 -1.0 2.0
   48    47    57    66   3.62500 -1.0 2.0
   57    64   -72    41   3.62500 -1.0 2.0
   57    64    72    73   3.62500 -1.0 2.0
   64    57    66    67   0.84100 -1.0 2.0
   64    72    73    74   0.84100 -1.0 2.0
   65    64    72    41   3.62500 -1.0 2.0
   65    64    72    73   3.62500 -1.0 2.0
   72    41   -43    47   3.62500 -1.0 2.0
   72    41    43    49   3.62500 -1.0 2.0
   66    57    64    65   3.62500 -1.0 2.0
   66    57    64    72   3.62500 -1.0 2.0
   49    43    47    48   3.62500 -1.0 2.0
   49    43    47    57   3.62500 -1.0 2.0
   50    49    58    33   0.30150 -1.0 2.0
   50    49    58    59   0.30150 -1.0 2.0
   50    49    58    60   0.00000  1.0 1.0
   58    33    37    40   0.04150 -1.0 2.0
   58    33    37    61   0.04150 -1.0 2.0
   58    33    38    39   0.30150 -1.0 2.0
   58    33   -38    41   0.05850 -1.0 2.0
   58    33   -38    41   0.17250  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
   35    30    34    36  10.50000 -1.0 2.0
   40    61    37    33   4.00000 -1.0 2.0
   42    70    40    37   4.00000 -1.0 2.0
   44    45    42    40   4.00000 -1.0 2.0
   51    53    44    42   4.00000 -1.0 2.0
   61    52    51    44   1.10000 -1.0 2.0
   51    68    61    37   4.00000 -1.0 2.0
   42    55    45    46  10.50000 -1.0 2.0
   45    56    55    62   1.10000 -1.0 2.0
   70    63    62    55   1.10000 -1.0 2.0
   40    62    70    71  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   43    72    41    38   4.00000 -1.0 2.0
   47    49    43    41   4.00000 -1.0 2.0
   57    48    47    43   1.10000 -1.0 2.0
   64    66    57    47   4.00000 -1.0 2.0
   72    65    64    57   1.10000 -1.0 2.0
   64    73    72    41   4.00000 -1.0 2.0
   43    58    49    50  10.50000 -1.0 2.0
END
