* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    228     425
    1     0 S   NP   _N1_     1    29.05264    97.18603   -21.05719
    2     1 S   H    _HN1     2     1.02785    87.89768   -86.79676
    3     1 S   H    _H1_     3     1.02951    71.86447    23.30385
    4     1 S   H    _H2_     4     1.02829    49.06417   157.18406
    5     1 S   CT   _CA1     5     1.50107   156.64584   122.91593
    6     5 S   HC   _HA1     6     1.09573   105.20644    86.28430
    7     5 S   CO3  _C1_     7     1.53792   112.44817   -33.96725
    8     7 S   O2Z  _O11     8     1.26371   115.00508   -42.99261
    9     7 S   O2Z  _O12     9     1.26239   114.93790   136.15476
   10     5 S   CT   _CB1    10     1.53079   107.42667  -155.73255
   11    10 S   HC   HB11    11     1.09831   109.38978   -49.82896
   12    10 S   HC   HB12    12     1.09814   110.44185    66.78323
   13    10 S   CT   _CG1    13     1.52979   112.58972  -170.81757
   14    13 S   HC   HG11    14     1.09592   110.60352   -65.02035
   15    13 S   HC   HG12    15     1.09668   109.82538    54.21258
   16    13 S   C    _CD1    16     1.51792   112.26469   174.66895
   17    16 S   O    _OE1    17     1.22723   123.31227     5.22708
   18    16 S   N    _N2_    18     1.38631   111.61378  -174.92001
   19    18 S   H    _HN2    19     1.01581   118.93142     1.94561
   20    18 S   CT1  _CA2    20     1.46236   123.43652   178.31507
   21    20 S   HC   _HA2    21     1.09735   109.43168     0.64407
   22    20 S   C    _C2_    22     1.53516   108.52048  -114.88117
   23    22 S   O    _O2_    23     1.23051   122.30731  -147.71386
   24    20 S   CT   _CB2    32     1.53474   111.38788   122.73385
   25    24 S   HC   HB21    33     1.09318   109.31633    56.45572
   26    24 S   HC   HB22    34     1.09452   109.84319   175.26757
   27    22 S   N    _N3_    24     1.38341   113.64927    39.71633
   28    27 S   H    _HN3    25     1.01598   119.55899    -3.35421
   29    24 S   S    _SG2    35     1.82908   110.96011   -65.45299
   30    27 S   CT   _CA3    26     1.45285   123.19452   177.12016
   31    30 S   HC   HA31    27     1.09551   107.51007   -64.51362
   32    30 S   HC   HA32    28     1.09558   107.97937    51.91789
   33    29 S   CT   _C16    36     1.87622   102.84084   166.73192
   34    30 S   CO3  _C3_    29     1.52955   114.09507   173.91208
   35    34 S   O2Z  _O31    30     1.26373   116.06765    -0.74677
   36    34 S   O2Z  _O32    31     1.26429   114.41259   179.31472
   37    33 S   CT   _C10    37     1.56530   109.74880   -67.90053
   38    37 S   HC   _H29    38     1.09577   109.22326   176.10238
   39    37 S   HC   _H30    39     1.09769   108.40676    64.43803
   40    33 S   CT   _C14    60     1.57111   105.24332   169.22556
   41    40 S   HC   _H34    61     1.09289   107.71522    50.29277
   42    33 S   CT   _C18    72     1.54208   109.08646    51.02939
   43    42 S   HC   _H38    73     1.09549   112.33663    55.11653
   44    42 S   HC   _H39    74     1.09516   112.10770   -66.51464
   45    42 S   HC   _H40    75     1.09507   110.90187   175.45110
   46    37 S   CT   _C8_    40     1.54061   119.97556   -57.67707
   47    46 S   HC   _H25    41     1.09554   110.30143    57.13322
   48    46 S   HC   _H26    42     1.09755   107.64135   171.27411
   49    40 S   OH   _O19    62     1.43400   110.46098   -64.23180
   50    49 S   HO   _H41    63     0.97200   107.88248   170.01109
   51    46 S   C3T  _C12    43     1.49528   115.07451   -66.43627
   52    51 S   HC   _H32    44     1.08116   112.22651    88.91679
   53    51 S   C3T  _C15    45     1.52676   124.44765   -69.93962
   54    53 S   CT   _C9_    46     1.51044   117.76660   157.50472
   55    54 S   HC   _H27    47     1.09748   108.09637   143.49186
   56    54 S   HC   _H28    48     1.09763   110.38755    28.17236
   57    51 S   O3T  _O18    67     1.43318   115.45824  -137.45098
   58    53 S   CT   _C17    68     1.50165   123.18993    -5.41356
   59    58 S   HC   _H35    69     1.09432   112.33828   -25.50019
   60    58 S   HC   _H36    70     1.09524   110.19018  -145.05577
   61    58 S   HC   _H37    71     1.09334   111.24033    95.34171
   62    54 S   CT   _C7_    49     1.53991   115.00746   -95.45948
   63    62 S   HC   _H23    50     1.09833   106.56021  -170.27789
   64    62 S   HC   _H24    51     1.09715   110.27835   -55.69208
   65    62 S   CT   _C11    52     1.54605   114.43931    69.58610
   66    65 S   HC   _H31    53     1.09636   108.79044    43.66062
   67    65 S   CM   _C4_    54     1.48988   112.19990   165.88702
   68    67 S   CO4  _C5_    55     1.47196   110.26352   107.37284
   69    68 S   O    _O16    56     1.21752   126.96068  -173.47063
   70    67 S   CM   _C6_    64     1.33611   127.85518   -74.95985
   71    70 S   HC   _H21    65     1.08505   120.78078     1.25570
   72    70 S   HC   _H22    66     1.08519   121.79766  -178.74711
   73    68 S   OS   _O17    57     1.35899   107.25795     6.25432
   74    65 S   CT   _C13    58     1.53460   112.61392   -80.88553
   75    74 S   HC   _H33    59     1.08500   109.25476     8.37815
  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  13   5   4   3
  19   2   1   1  17   7   6  16   7   6   2   1   1   8   5   4
   5   1  11   4  12  14   7   6   5   4   2   1   1  10   5   4
  10   6   8   7   3   4   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    74    40    41    49    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    51    65    73    74    75    40    41    49    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    51    52    53    74    40    41    49    57    42    43    44    45  
   39    46    47    48    51    40    42  
   46    47    48    51    40    42  
   41    49    50    42    43    44    45    46    62    65    66    67    68    73    74    75  
   49    50    42    65    73    74    75  
   43    44    45    46    49    74  
   44    45  
   45  
    0  
   47    48    51    52    53    54    57    58  
   48    51    52    53    57  
   51    52    53    57  
   50    65    73    74    75  
   74  
   52    53    54    55    56    62    57    58    59    60    61  
   53    54    57    58  
   54    55    56    62    63    64    65    57    58    59    60    61  
   55    56    62    63    64    65    66    67    74    57    58    59    60    61  
   56    62    63    64    65    57    58  
   62    63    64    65    57    58  
   58    59    60    61    62  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    73    74    75    70  
   64    65    66    67    74  
   65    66    67    74  
   66    67    68    69    73    74    75    70    71    72  
   67    68    73    74    75    70  
   68    69    73    74    75    70    71    72  
   69    73    74    75    70    71    72  
   73    74    70  
   71    72    73    74  
   72  
    0  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   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   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   275.000  1.510
   51    52   340.000  1.088
   51    53   260.000  1.509
   51    57   335.000  1.432
   53    54   275.000  1.510
   53    57   335.000  1.432
   53    58   275.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   317.000  1.510
   65    74   268.000  1.529
   67    68   320.000  1.462
   67    70   549.000  1.340
   68    69   570.000  1.229
   68    73   214.000  1.327
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    40   268.000  1.529
   40    41   340.000  1.090
   40    49   320.000  1.410
   49    50   553.000  0.945
   70    71   340.000  1.080
   70    72   340.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    74    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    49    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    70.00000  112.37300
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    51    52    40.00000  115.04500
   46    51    53    60.00000  120.94000
   46    51    57    80.00000  116.47100
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  109.38400
   51    46    48    45.00000  109.38400
   51    53    54    60.00000  120.94000
   51    53    57    15.00000   60.43100
   51    53    58    60.00000  120.94000
   51    57    53    15.00000   59.14900
   53    51    52    37.50000  117.20000
   53    54    55    45.00000  109.38400
   53    54    56    45.00000  109.38400
   53    54    62    70.00000  112.37300
   53    58    59    45.00000  109.38400
   53    58    60    45.00000  109.38400
   53    58    61    45.00000  109.38400
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    65    58.35000  112.70000
   56    54    55    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    70.00000  112.02700
   62    65    74    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    68    65.00000  116.34900
   65    67    70    70.00000  124.00000
   65    74    73    50.00000  109.50000
   65    74    75    37.50000  110.70000
   65    74    40    58.35000  112.70000
   67    65    66    35.00000  109.50000
   67    68    69    80.00000  123.72100
   67    68    73    90.00000  111.29400
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   68    73    74    83.00000  116.90000
   73    68    69    83.00000  123.40000
   73    74    75    35.00000  109.50000
   73    74    40    50.00000  109.50000
   74    65    66    37.50000  110.70000
   74    65    67    70.00000  112.02700
   74    40    41    37.50000  110.70000
   74    40    49    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    74    75    37.50000  110.70000
   40    49    50    55.00000  108.50000
   49    40    41    35.00000  109.50000
   70    67    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   57    51    52    50.00000  114.27700
   57    51    53    15.00000   60.43100
   57    53    54    80.00000  116.47100
   58    53    54    58.35000  112.70000
   58    53    57    80.00000  116.47100
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    74   0.44750  1.0 1.0
   29    33    40    74  -0.17800 -1.0 2.0
   29    33    40    74   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    49   0.56750  1.0 1.0
   29    33    40    49  -0.07550 -1.0 2.0
   29    33    40    49   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    51   0.47050  1.0 1.0
   33    37    46    51   0.03900 -1.0 2.0
   33    37    46    51   0.20100  1.0 3.0
   33    40    49    50  -0.11600  1.0 1.0
   33    40    49    50  -0.09450 -1.0 2.0
   33    40    49    50   0.21250  1.0 3.0
   37    33    40    74   0.56750  1.0 1.0
   37    33    40    74  -0.07550 -1.0 2.0
   37    33    40    74   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    49   0.86500  1.0 1.0
   37    33    40    49  -0.17500 -1.0 2.0
   37    33    40    49   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    51    52   0.15000  1.0 3.0
   37    46    51    53   0.07850  1.0 1.0
   37    46    51    53  -0.03950 -1.0 2.0
   37    46    51    53   0.67350  1.0 3.0
   37    46    51    57   0.02550  1.0 1.0
   37    46    51    57  -0.02600 -1.0 2.0
   37    46    51    57   1.20400  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    51   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    51   0.15000  1.0 3.0
   46    51    53    54   0.56750  1.0 1.0
   46    51    53    54  -0.07550 -1.0 2.0
   46    51    53    54   0.20000  1.0 3.0
   46    51   -53    57   0.02550  1.0 1.0
   46    51   -53    57  -0.02600 -1.0 2.0
   46    51   -53    57   1.20400  1.0 3.0
   46    51    53    58   0.56750  1.0 1.0
   46    51    53    58  -0.07550 -1.0 2.0
   46    51    53    58   0.20000  1.0 3.0
   46    51   -57    53   0.06250  1.0 1.0
   46    51   -57    53  -0.01100 -1.0 2.0
   46    51   -57    53   0.28050  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    57   0.23400  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    57   0.23400  1.0 3.0
   51    53    54    55   0.15000  1.0 3.0
   51    53    54    56   0.15000  1.0 3.0
   51    53    54    62   0.07850  1.0 1.0
   51    53    54    62  -0.03950 -1.0 2.0
   51    53    54    62   0.67350  1.0 3.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    60   0.15000  1.0 3.0
   51    53    58    61   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51   -53    57   0.23400  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51   -57    53   0.36800  1.0 3.0
   53    54    62    63   0.15000  1.0 3.0
   53    54    62    64   0.15000  1.0 3.0
   53    54    62    65   0.47050  1.0 1.0
   53    54    62    65   0.03900 -1.0 2.0
   53    54    62    65   0.20100  1.0 3.0
   54    53   -57    51   0.06250  1.0 1.0
   54    53   -57    51  -0.01100 -1.0 2.0
   54    53   -57    51   0.28050  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   54    62    65    66   0.15000  1.0 3.0
   54    62    65    67   0.34400  1.0 1.0
   54    62    65    67   0.09450 -1.0 2.0
   54    62    65    67   0.11100  1.0 3.0
   54    62    65    74   0.56750  1.0 1.0
   54    62    65    74  -0.07550 -1.0 2.0
   54    62    65    74   0.20000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    65   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    64   0.15000  1.0 3.0
   56    54    62    65   0.15000  1.0 3.0
   62    65    67    68   0.09700  1.0 1.0
   62    65    67    68   0.15600 -1.0 2.0
   62    65    67    68  -0.50800  1.0 3.0
   62    65    67    70   0.09850  1.0 1.0
   62    65    67    70   0.15250 -1.0 2.0
   62    65    67    70  -0.50650  1.0 3.0
   62    65    74    73   0.62750  1.0 1.0
   62    65    74    73  -0.30950 -1.0 2.0
   62    65    74    73   0.27300  1.0 3.0
   62    65    74    75   0.15000  1.0 3.0
   62    65    74    40   0.56750  1.0 1.0
   62    65    74    40  -0.07550 -1.0 2.0
   62    65    74    40   0.20000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    74   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    74   0.15000  1.0 3.0
   65    67    68    69  -0.64400  1.0 1.0
   65    67    68    69   0.26850 -1.0 2.0
   65    67   -68    73  -0.15000  1.0 1.0
   65    67   -68    73   0.89550 -1.0 2.0
   65    67   -68    73  -0.06900  1.0 3.0
   65    67    70    71   7.00000 -1.0 2.0
   65    67    70    72   7.00000 -1.0 2.0
   65    74    40    33   0.56750  1.0 1.0
   65    74    40    33  -0.07550 -1.0 2.0
   65    74    40    33   0.20000  1.0 3.0
   65    74    40    41   0.15000  1.0 3.0
   65    74    40    49   0.86500  1.0 1.0
   65    74    40    49  -0.17500 -1.0 2.0
   65    74    40    49   0.20800  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    70   0.00000  1.0 1.0
   66    65    74    73   0.23400  1.0 3.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    40   0.15000  1.0 3.0
   67    65   -74    73   0.61850  1.0 1.0
   67    65   -74    73  -0.22750 -1.0 2.0
   67    65   -74    73   0.15300  1.0 3.0
   67    65    74    75   0.15000  1.0 3.0
   67    65    74    40   0.34400  1.0 1.0
   67    65    74    40   0.09450 -1.0 2.0
   67    65    74    40   0.11100  1.0 3.0
   67    68   -73    74   2.00000 -1.0 2.0
   68    67    70    71   7.00000 -1.0 2.0
   68    67    70    72   7.00000 -1.0 2.0
   68    73   -74    65  -0.25900  1.0 1.0
   68    73   -74    65  -0.47000 -1.0 2.0
   68    73   -74    65   0.11750  1.0 3.0
   68    73    74    75   0.08050  1.0 3.0
   68    73    74    40  -0.25900  1.0 1.0
   68    73    74    40  -0.47000 -1.0 2.0
   68    73    74    40   0.11750  1.0 3.0
   69    68    73    74   3.00000 -1.0 2.0
   73    74    40    33   0.62750  1.0 1.0
   73    74    40    33  -0.30950 -1.0 2.0
   73    74    40    33   0.27300  1.0 3.0
   73    74    40    41   0.23400  1.0 3.0
   73    74    40    49   3.69350  1.0 1.0
   73    74    40    49  -1.82950 -1.0 2.0
   74    65   -67    68   0.09700  1.0 1.0
   74    65   -67    68   0.15600 -1.0 2.0
   74    65   -67    68  -0.50800  1.0 3.0
   74    65    67    70   0.09850  1.0 1.0
   74    65    67    70   0.15250 -1.0 2.0
   74    65    67    70  -0.50650  1.0 3.0
   74    40    49    50  -0.11600  1.0 1.0
   74    40    49    50  -0.09450 -1.0 2.0
   74    40    49    50   0.21250  1.0 3.0
   75    74    40    33   0.15000  1.0 3.0
   75    74    40    41   0.15000  1.0 3.0
   75    74    40    49   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    49    50   0.19450  1.0 3.0
   70    67    68    69   1.00000 -1.0 2.0
   70    67    68    73  -0.56150  1.0 1.0
   70    67    68    73   2.19150 -1.0 2.0
   57    51   -53    54   0.02550  1.0 1.0
   57    51   -53    54  -0.02600 -1.0 2.0
   57    51   -53    54   1.20400  1.0 3.0
   57    51   -53    58   0.02550  1.0 1.0
   57    51   -53    58  -0.02600 -1.0 2.0
   57    51   -53    58   1.20400  1.0 3.0
   57    53    54    55   0.23400  1.0 3.0
   57    53    54    56   0.23400  1.0 3.0
   57    53    54    62   0.02550  1.0 1.0
   57    53    54    62  -0.02600 -1.0 2.0
   57    53    54    62   1.20400  1.0 3.0
   57    53    58    59   0.23400  1.0 3.0
   57    53    58    60   0.23400  1.0 3.0
   57    53    58    61   0.23400  1.0 3.0
   58    53    54    55   0.15000  1.0 3.0
   58    53    54    56   0.15000  1.0 3.0
   58    53    54    62   0.56750  1.0 1.0
   58    53    54    62  -0.07550 -1.0 2.0
   58    53    54    62   0.20000  1.0 3.0
   58    53   -57    51   0.06250  1.0 1.0
   58    53   -57    51  -0.01100 -1.0 2.0
   58    53   -57    51   0.28050  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    74   0.56750  1.0 1.0
   42    33    40    74  -0.07550 -1.0 2.0
   42    33    40    74   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    49   0.86500  1.0 1.0
   42    33    40    49  -0.17500 -1.0 2.0
   42    33    40    49   0.20800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   65    68    67    70   1.10000 -1.0 2.0
   67    73    68    69  10.50000 -1.0 2.0
   71    72    70    67   1.10000 -1.0 2.0
END
