* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    133    202     382
    1     0 S   NP   _N1_     1    28.88242    96.18284   -20.05726
    2     1 S   H    _HN1     2     1.02781    82.03310   -73.61798
    3     1 S   H    _H1_     3     1.02959    86.30348    35.44535
    4     1 S   H    _H2_     4     1.02835    40.95019   157.00266
    5     1 S   CT   _CA1     5     1.50085   151.59657   163.47278
    6     5 S   HC   _HA1     6     1.09584   105.23947    54.55163
    7     5 S   CO3  _C1_     7     1.53697   112.40052   -65.59251
    8     7 S   O2Z  _O11     8     1.26335   115.04288   -46.43517
    9     7 S   O2Z  _O12     9     1.26232   114.86312   132.84723
   10     5 S   CT   _CB1    10     1.53078   107.44049   172.29411
   11    10 S   HC   HB11    11     1.09819   109.11501   -52.78145
   12    10 S   HC   HB12    12     1.09820   110.51698    63.68569
   13    10 S   CT   _CG1    13     1.53006   112.70839  -174.02115
   14    13 S   HC   HG11    14     1.09590   110.34630   -65.34923
   15    13 S   HC   HG12    15     1.09652   110.07160    53.83043
   16    13 S   C    _CD1    16     1.51801   112.31178   173.92443
   17    16 S   O    _OE1    17     1.22726   123.23538    -6.79460
   18    16 S   N    _N2_    18     1.38607   111.66864   173.99936
   19    18 S   H    _HN2    19     1.01597   119.03003    -0.26020
   20    18 S   CT1  _CA2    20     1.46187   123.35920   178.95958
   21    20 S   HC   _HA2    21     1.09738   109.35175   -12.29634
   22    20 S   C    _C2_    22     1.53468   108.22933  -127.82320
   23    22 S   O    _O2_    23     1.23014   122.24312  -145.92072
   24    20 S   CT   _CB2    32     1.53384   111.62643   109.90172
   25    24 S   HC   HB21    33     1.09481   109.79261    54.96764
   26    24 S   HC   HB22    34     1.09519   110.22224   173.76593
   27    22 S   N    _N3_    24     1.38509   113.37640    41.43253
   28    27 S   H    _HN3    25     1.01526   118.92157    -0.65968
   29    24 S   S    _SG2    35     1.82736   111.84570   -66.69963
   30    27 S   CT   _CA3    26     1.45460   123.53075   175.12657
   31    30 S   HC   HA31    27     1.09516   109.33908    22.31135
   32    30 S   HC   HA32    28     1.09498   107.09397   139.33879
   33    29 S   CT   _C14    36     1.83631    99.47892   177.90137
   34    33 S   HC   _H4_    37     1.09731   107.98363    43.54166
   35    30 S   CO3  _C3_    29     1.52922   113.05459  -101.23376
   36    35 S   O2Z  _O31    30     1.26407   115.38729   -44.50792
   37    35 S   O2Z  _O32    31     1.26351   114.99180   136.40719
   38    33 S   CO4  _C15    38     1.51847   106.39002   157.58785
   39    38 S   O    _O35    39     1.23190   121.48901   -81.49235
   40    38 S   CM   _C16    40     1.48289   119.66187    95.96814
   41    40 S   HC   _H10    41     1.08349   114.94788  -172.96781
   42    40 S   CM   _C17    42     1.34356   122.01883     4.89465
   43    42 S   CT   _C11    43     1.51608   122.42466     3.32726
   44    42 S   OS   _O36    69     1.38538   124.61841  -176.33708
   45    43 S   CO4  _C12    44     1.53037   110.32283   140.19174
   46    45 S   O    _O34    45     1.21801   126.75565   -57.44109
   47    43 S   OS   _O33    55     1.45773   107.42598  -107.03437
   48    33 S   CT   _C13    60     1.53676   113.21476   -78.58088
   49    48 S   HC   _H3_    61     1.09997   107.88540    42.29722
   50    44 S   CT   _C18    70     1.42176   118.39715    -0.42887
   51    50 S   HC   _H11    71     1.09406   107.86106  -179.98022
   52    50 S   HC   _H12    72     1.09475   110.99846    62.05641
   53    50 S   HC   _H13    73     1.09476   110.98359   -62.04268
   54    45 S   CA   _C8_    46     1.45348   107.89394   121.65546
   55    48 S   CO4  _C19    62     1.52509   109.14071   153.62244
   56    55 S   O    _O37    63     1.22526   123.18265  -115.71645
   57    54 S   CA   _C7_    47     1.40100   130.63220   175.93312
   58    57 S   OM   _O39    48     1.27629   125.13610    -1.09468
   59    55 S   OS   _O38    64     1.36197   111.22146    63.71238
   60    57 S   CA   _C6_    49     1.41705   112.35850   179.07233
   61    60 S   HA   _H8_    50     1.09269   118.17876   179.75451
   62    59 S   CT   _C20    65     1.43017   115.35560   179.05374
   63    62 S   HC   _H14    66     1.09323   108.08113  -178.71032
   64    62 S   HC   _H15    67     1.09413   110.23404    62.61881
   65    62 S   HC   _H16    68     1.09425   110.34716   -60.02430
   66    60 S   CA   _C5_    51     1.41770   124.13051    -0.47313
   67    66 S   CA   _C10    52     1.39511   119.59886     1.00347
   68    67 S   HA   _H9_    53     1.08484   121.22248   179.56121
   69    66 S   CT   _C4_    56     1.49997   120.48069   179.53228
   70    69 S   HC   _H5_    57     1.09469   110.33708   132.49890
   71    69 S   HC   _H6_    58     1.09437   110.02700  -106.81514
   72    69 S   HC   _H7_    59     1.09490   111.47192    13.33820
   73    54 S   CA   _C9_    54     1.38682   104.50402    -4.54692
  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   9   7
   3   3   2   1   1   8   6   2   7   4   4   9   3   3   2   1
   1   7   6   2   4   2   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    47    48    49    55    56    59  
   38    39    40    43    48    49    55  
   36    37  
   37  
    0  
   39    40    41    42    43    48    49    55    44  
   40    41    42    48  
   41    42    43    45    47    48    44    50  
   42    43    44  
   43    45    46    54    73    47    48    49    55    44    50    51    52    53  
   45    46    54    57    67    73    47    48    49    55    56    59    44    50  
   50    51    52    53    45    47    48  
   46    54    57    58    60    67    73    47    48    49    55  
   54    57    73    47    48  
   48    49    55    54    57    66    67    68    73  
   49    55    56    59    62    54    73  
   55    56    59  
   51    52    53  
   52    53  
   53  
    0  
   57    58    60    61    66    67    68    73  
   56    59    62    63    64    65  
   59    62  
   58    60    61    66    67    73    69  
   60    61    66    73  
   62    63    64    65  
   61    66    67    68    73    69    70    71    72  
   66    67    69  
   63    64    65  
   64    65  
   65  
    0  
   67    68    73    69    70    71    72  
   68    73    69    70    71    72  
   73    69  
   70    71    72    73  
   71    72  
   72  
    0  
    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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   59   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
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    48   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    47   320.000  1.410
   43    48   268.000  1.529
   45    46   570.000  1.229
   45    54   310.000  1.470
   54    57   469.000  1.400
   54    73   469.000  1.400
   57    58   450.000  1.364
   57    60   469.000  1.400
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    67   469.000  1.400
   66    69   317.000  1.510
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    47   450.000  1.364
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   48    49   340.000  1.090
   48    55   317.000  1.522
   55    56   570.000  1.229
   55    59   214.000  1.327
   59    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   44    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    48    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    48    43    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    55    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    47    85.00000  110.90400
   42    43    48    70.00000  112.02700
   42    44    50    90.00000  111.18400
   43    45    46    80.00000  120.40000
   43    45    54    65.00000  115.47100
   43    47    73    75.00000  111.00000
   43    48    49    37.50000  110.70000
   43    48    55    63.00000  111.10000
   45    54    57    60.00000  119.52600
   45    54    73    60.00000  119.52600
   54    45    46    75.00000  123.78400
   54    57    58    70.00000  120.00000
   54    57    60    63.00000  120.00000
   54    73    67    63.00000  120.00000
   54    73    47    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    66    63.00000  120.00000
   60    57    58    70.00000  120.00000
   60    66    67    63.00000  120.00000
   60    66    69    70.00000  120.00000
   66    60    61    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    73    63.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   67    73    47    70.00000  120.00000
   73    54    57    63.00000  120.00000
   73    67    68    35.00000  120.00000
   47    43    45    90.00000  108.74100
   69    66    67    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   48    33    34    37.50000  110.70000
   48    33    38    63.00000  111.10000
   48    43    45    63.00000  111.10000
   48    43    47    50.00000  109.50000
   48    55    56    80.00000  120.40000
   48    55    59    81.00000  111.40000
   55    48    49    35.00000  109.50000
   55    59    62    83.00000  116.90000
   59    55    56    83.00000  123.40000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   44    42    43    85.00000  112.85300
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    48    43   0.44750  1.0 1.0
   29    33    48    43  -0.17800 -1.0 2.0
   29    33    48    43   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    55   0.56750  1.0 1.0
   29    33    48    55  -0.07550 -1.0 2.0
   29    33    48    55   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    48    55    56   0.30150 -1.0 2.0
   33    48    55    59   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    48    43   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    55  -0.11250  1.0 3.0
   38    33    48    43  -0.95700  1.0 1.0
   38    33    48    43  -0.18200 -1.0 2.0
   38    33    48    43   0.29450  1.0 3.0
   38    33    48    49  -0.11250  1.0 3.0
   38    33    48    55   0.11950  1.0 1.0
   38    33    48    55   0.20300 -1.0 2.0
   38    33    48    55  -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    47   0.39000  1.0 1.0
   40    42    43    47  -0.05800 -1.0 2.0
   40    42    43    47  -0.55150  1.0 3.0
   40    42    43    48   0.09850  1.0 1.0
   40    42    43    48   0.15250 -1.0 2.0
   40    42    43    48  -0.50650  1.0 3.0
   40    42    44    50  -2.26850  1.0 1.0
   40    42    44    50   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    54   0.65300  1.0 1.0
   42    43    45    54  -0.03850 -1.0 2.0
   42    43    45    54   0.33900  1.0 3.0
   42    43    47    73  -0.25600  1.0 1.0
   42    43    47    73  -0.40050 -1.0 2.0
   42    43    47    73   0.34700  1.0 3.0
   42    43   -48    33   0.34400  1.0 1.0
   42    43   -48    33   0.09450 -1.0 2.0
   42    43   -48    33   0.11100  1.0 3.0
   42    43    48    49   0.15000  1.0 3.0
   42    43    48    55  -0.98800  1.0 1.0
   42    43    48    55   0.48800 -1.0 2.0
   42    43    48    55   0.76800  1.0 3.0
   42    44    50    51   0.08050  1.0 3.0
   42    44    50    52   0.08050  1.0 3.0
   42    44    50    53   0.08050  1.0 3.0
   43    42    44    50   2.00000 -1.0 2.0
   43    45    54    57   2.26350  1.0 1.0
   43    45    54    57   0.76750 -1.0 2.0
   43    45    54    57   0.22500  1.0 3.0
   43    45   -54    73   2.26350  1.0 1.0
   43    45   -54    73   0.76750 -1.0 2.0
   43    45   -54    73   0.22500  1.0 3.0
   43    48    55    56   0.30150 -1.0 2.0
   43    48    55    59   0.36750  1.0 3.0
   45    43   -47    73  -0.25600  1.0 1.0
   45    43   -47    73  -0.40050 -1.0 2.0
   45    43   -47    73   0.34700  1.0 3.0
   45    43    48    33  -0.95700  1.0 1.0
   45    43    48    33  -0.18200 -1.0 2.0
   45    43    48    33   0.29450  1.0 3.0
   45    43    48    49  -0.11250  1.0 3.0
   45    43    48    55   0.11950  1.0 1.0
   45    43    48    55   0.20300 -1.0 2.0
   45    43    48    55  -0.70800  1.0 3.0
   45    54    57    58   3.62500 -1.0 2.0
   45    54    57    60   3.62500 -1.0 2.0
   45    54    73    67   3.62500 -1.0 2.0
   45    54   -73    47   3.62500 -1.0 2.0
   46    45    54    57   1.05000 -1.0 2.0
   46    45    54    73   1.05000 -1.0 2.0
   54    57    60    61   3.62500 -1.0 2.0
   54    57    60    66   3.62500 -1.0 2.0
   54    73   -47    43   1.63200 -1.0 2.0
   57    54    73    67   3.62500 -1.0 2.0
   57    54    73    47   3.62500 -1.0 2.0
   57    60   -66    67   3.62500 -1.0 2.0
   57    60    66    69   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   58    57    60    66   3.62500 -1.0 2.0
   60    66    67    68   3.62500 -1.0 2.0
   60    66    67    73   3.62500 -1.0 2.0
   60    66    69    70   0.00000  1.0 1.0
   60    66    69    71   0.00000  1.0 1.0
   60    66    69    72   0.00000  1.0 1.0
   61    60    66    67   3.62500 -1.0 2.0
   61    60    66    69   3.62500 -1.0 2.0
   66    67   -73    54   3.62500 -1.0 2.0
   66    67    73    47   3.62500 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    72   0.00000  1.0 1.0
   67    73    47    43   1.63200 -1.0 2.0
   68    67    73    54   3.62500 -1.0 2.0
   68    67    73    47   3.62500 -1.0 2.0
   73    54    57    58   3.62500 -1.0 2.0
   73    54   -57    60   3.62500 -1.0 2.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43   -45    54   0.65300  1.0 1.0
   47    43   -45    54  -0.03850 -1.0 2.0
   47    43   -45    54   0.33900  1.0 3.0
   47    43    48    33   0.62750  1.0 1.0
   47    43    48    33  -0.30950 -1.0 2.0
   47    43    48    33   0.27300  1.0 3.0
   47    43    48    49   0.23400  1.0 3.0
   47    43    48    55  -0.09450  1.0 1.0
   47    43    48    55  -1.12950 -1.0 2.0
   47    43    48    55   0.54000  1.0 3.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    73   3.62500 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
   48    43    45    46   0.30150 -1.0 2.0
   48    43    45    54   0.05850 -1.0 2.0
   48    43    45    54   0.17250  1.0 3.0
   48    43    47    73  -0.32850  1.0 1.0
   48    43    47    73  -0.35800 -1.0 2.0
   48    43    47    73   0.33950  1.0 3.0
   48    55    59    62   1.63150  1.0 1.0
   48    55    59    62   2.92000 -1.0 2.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    59   0.00000  1.0 1.0
   55    59    62    63   0.08050  1.0 3.0
   55    59    62    64   0.08050  1.0 3.0
   55    59    62    65   0.08050  1.0 3.0
   56    55    59    62   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    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
   44    42    43    48   0.09700  1.0 1.0
   44    42    43    48   0.15600 -1.0 2.0
   44    42    43    48  -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    54    45    46  10.50000 -1.0 2.0
   57    73    54    45   4.00000 -1.0 2.0
   60    58    57    54   4.00000 -1.0 2.0
   66    61    60    57   1.10000 -1.0 2.0
   67    69    66    60   4.00000 -1.0 2.0
   73    68    67    66   1.10000 -1.0 2.0
   67    47    73    54   4.00000 -1.0 2.0
   48    59    55    56  10.50000 -1.0 2.0
END
