* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    237     440
    1     0 S   NP   _N1_     1    28.67993    97.10321   -23.52156
    2     1 S   H    _HN1     2     1.02950    67.46857    15.32761
    3     1 S   H    _H1_     3     1.02829    42.85771   171.45574
    4     1 S   H    _H2_     4     1.02786   105.29839   -88.56528
    5     1 S   CT   _CA1     5     1.50111   140.39785   110.53437
    6     5 S   HC   _HA1     6     1.09573   105.19699    98.69773
    7     5 S   CO3  _C1_     7     1.53788   112.47071   -21.53815
    8     7 S   O2Z  _O11     8     1.26370   115.00736   -42.46242
    9     7 S   O2Z  _O12     9     1.26241   114.94855   136.68768
   10     5 S   CT   _CB1    10     1.53083   107.42601  -143.31859
   11    10 S   HC   HB11    11     1.09832   109.37080   -49.77776
   12    10 S   HC   HB12    12     1.09813   110.44658    66.83121
   13    10 S   CT   _CG1    13     1.52990   112.60358  -170.76056
   14    13 S   HC   HG11    14     1.09582   110.62223   -65.61365
   15    13 S   HC   HG12    15     1.09671   109.78880    53.61237
   16    13 S   C    _CD1    16     1.51802   112.24720   174.06611
   17    16 S   O    _OE1    17     1.22727   123.29107     6.63294
   18    16 S   N    _N2_    18     1.38658   111.65570  -173.44360
   19    18 S   H    _HN2    19     1.01578   118.92851     1.80992
   20    18 S   CT1  _CA2    20     1.46206   123.40735   177.42268
   21    20 S   HC   _HA2    21     1.09736   109.36141     2.77516
   22    20 S   C    _C2_    22     1.53565   108.61049  -112.69474
   23    22 S   O    _O2_    23     1.23055   122.29650  -148.07108
   24    20 S   CT   _CB2    32     1.53329   111.57641   124.79504
   25    24 S   HC   HB21    33     1.09588   110.11097    55.97767
   26    24 S   HC   HB22    34     1.09453   110.02750   175.06021
   27    22 S   N    _N3_    24     1.38331   113.71393    39.38227
   28    27 S   H    _HN3    25     1.01580   119.59159    -3.27901
   29    24 S   S    _SG2    35     1.82822   111.51534   -64.94427
   30    27 S   CT   _CA3    26     1.45284   123.21073   177.14069
   31    30 S   HC   HA31    27     1.09549   107.50832   -64.68992
   32    30 S   HC   HA32    28     1.09557   107.99077    51.75158
   33    29 S   CT   _C13    36     1.83516    99.50125   173.01674
   34    33 S   HC   _H8_    37     1.09659   105.59704   -55.69663
   35    30 S   CO3  _C3_    29     1.52957   114.07585   173.75345
   36    35 S   O2Z  _O31    30     1.26378   116.06968    -0.57946
   37    35 S   O2Z  _O32    31     1.26429   114.41170   179.47923
   38    33 S   CT   _C12    38     1.53908   112.58976    66.12836
   39    38 S   HC   _H7_    39     1.09584   111.59389    12.55404
   40    38 S   CT   _C11    40     1.55559   107.13504   132.75208
   41    40 S   HC   _H6_    41     1.09980   107.54775    83.81803
   42    38 S   OH   _O34    74     1.42376   109.74040  -106.24755
   43    42 S   HO   _H18    75     0.97229   108.31800   -62.41597
   44    40 S   CT   _C5_    42     1.55755   113.04982  -157.67892
   45    44 S   HC   _H3_    43     1.09613   109.16562    71.15771
   46    40 S   CT   _C10    61     1.56059   102.73034   -31.50296
   47    44 S   CT   _C6_    44     1.53907   113.86653  -168.34183
   48    47 S   HC   _H13    45     1.09928   109.71766    69.61949
   49    47 S   HC   _H14    46     1.09928   108.73179  -176.71938
   50    33 S   CT   _C14    62     1.53812   114.42895  -174.61111
   51    50 S   HC   _H9_    63     1.09938   106.27246   139.71761
   52    46 S   CT   _C15    66     1.54925   112.84801   -76.11916
   53    52 S   HC   _H19    67     1.09311   112.70468    47.55488
   54    52 S   HC   _H20    68     1.09373   111.63213   -72.85588
   55    52 S   HC   _H21    69     1.09589   111.37689   168.17163
   56    44 S   CT   _C4_    70     1.53934   112.63410   -46.33742
   57    56 S   HC   _H10    71     1.09519   111.22850   -55.69078
   58    56 S   HC   _H11    72     1.09593   110.89253  -175.64311
   59    56 S   HC   _H12    73     1.09393   111.64105    65.85370
   60    47 S   CT   _C7_    47     1.52332   116.38749   -54.83244
   61    60 S   HC   _H4_    48     1.09582   110.57379   -57.30061
   62    50 S   OH   _O33    64     1.41528   115.39960    22.26218
   63    62 S   HO   _H17    65     0.97261   107.59222    41.41484
   64    60 S   CT   _C8_    49     1.51752   113.06562    70.59171
   65    64 S   HC   _H5_    50     1.09847   110.31221    32.79640
   66    64 S   CM   _C16    51     1.49453   100.27480   145.15443
   67    64 S   CT   _C9_    58     1.52795   114.39127   -90.86074
   68    67 S   HC   _H15    59     1.09867   106.71205   175.53213
   69    67 S   HC   _H16    60     1.09939   109.36624   -72.53808
   70    66 S   CO4  _C18    52     1.47627   108.52641   -22.81293
   71    70 S   O    _O35    53     1.21727   127.19473  -169.54475
   72    66 S   CM   _C17    55     1.33619   130.12585   155.92040
   73    72 S   HC   _H22    56     1.08452   121.25758     1.01991
   74    72 S   HC   _H23    57     1.08541   121.64589  -179.24983
   75    60 S   OS   _O36    54     1.44458   107.44710  -173.35383
  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  10   5   4   3
  15   8   2   1   1  15   7  25   9   4   1  16   9  17  14   6
   5  11   4   8   3   2   1   4   2   1   1  11   6   2   1  11
   7   9   5   1   1   5   2   3   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    50    51    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    67    46    50    51    62    63    52    42    43  
   38    39    40    46    50    51    62    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    67    46    50    51    62    52    56    42    43  
   40    41    44    46    50    42    43  
   41    44    45    47    48    49    60    64    67    68    69    46    50    51    62    52    53    54    55    56    57    58    59    42    43  
   44    45    47    67    46    50    52    56    42  
   43    44    46    50  
    0  
   45    47    48    49    60    61    64    75    67    46    50    52    56    57    58    59  
   47    48    49    60    46    56    57    58    59  
   50    51    62    63    52    53    54    55    56    47    60    64    65    66    67    68    69  
   48    49    60    61    64    65    66    70    75    67    56    57    58    59  
   49    60    61    64    75    56  
   60    61    64    75    56  
   51    62    63    52    53    54    55    64    67    68    69  
   62    63    52    67  
   53    54    55    62    64    67    68    69  
   54    55    67  
   55    67  
   67  
   57    58    59    60  
   58    59  
   59  
    0  
   61    64    65    66    70    71    75    72    67    68    69  
   64    65    66    70    75    67  
   63    67  
    0  
   65    66    70    71    75    72    73    74    67    68    69  
   66    70    75    72    67    68    69  
   70    71    75    72    73    74    67    68    69  
   68    69    70    72    75  
   69  
    0  
   71    75    72    73    74  
   75    72  
   73    74    75  
   74  
    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   2.5000   0.0300   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    56   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    60   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    75   320.000  1.410
   64    65   340.000  1.090
   64    66   317.000  1.510
   64    67   268.000  1.529
   66    70   320.000  1.462
   66    72   549.000  1.340
   70    71   570.000  1.229
   70    75   214.000  1.327
   72    73   340.000  1.080
   72    74   340.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    46   268.000  1.529
   46    50   268.000  1.529
   46    52   268.000  1.529
   50    51   340.000  1.090
   50    62   320.000  1.410
   62    63   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   42    43   553.000  0.945
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  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    50    46    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    56    58.35000  112.70000
   40    46    67    58.35000  112.70000
   40    46    50    58.35000  112.70000
   40    46    52    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    60    58.35000  112.70000
   44    56    57    37.50000  110.70000
   44    56    58    37.50000  110.70000
   44    56    59    37.50000  110.70000
   47    44    45    37.50000  110.70000
   47    60    61    37.50000  110.70000
   47    60    64    58.35000  112.70000
   47    60    75    50.00000  109.50000
   49    47    48    33.00000  107.80000
   60    47    48    37.50000  110.70000
   60    47    49    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    70.00000  112.02700
   60    64    67    58.35000  112.70000
   60    75    70    83.00000  116.90000
   64    60    61    37.50000  110.70000
   64    66    70    65.00000  116.34900
   64    66    72    70.00000  124.00000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    46    58.35000  112.70000
   66    64    65    35.00000  109.50000
   66    70    71    80.00000  123.72100
   66    70    75    90.00000  111.29400
   66    72    73    35.00000  120.00000
   66    72    74    35.00000  120.00000
   75    60    61    35.00000  109.50000
   75    60    64    50.00000  109.50000
   75    70    71    83.00000  123.40000
   72    66    70    65.00000  118.96000
   74    72    73    35.00000  117.00000
   67    64    65    37.50000  110.70000
   67    64    66    70.00000  112.02700
   67    46    50    58.35000  112.70000
   67    46    52    58.35000  112.70000
   69    67    68    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    67    68    37.50000  110.70000
   46    67    69    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    62    50.00000  109.50000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    62    63    55.00000  108.50000
   62    50    51    35.00000  109.50000
   52    46    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    44    45    37.50000  110.70000
   56    44    47    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    62   0.56750  1.0 1.0
   29    33    50    62  -0.07550 -1.0 2.0
   29    33    50    62   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38   -40    46   0.56750  1.0 1.0
   33    38   -40    46  -0.07550 -1.0 2.0
   33    38   -40    46   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    50    62    63  -0.11600  1.0 1.0
   33    50    62    63  -0.09450 -1.0 2.0
   33    50    62    63   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    50    46   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    62   0.23400  1.0 3.0
   38    33   -50    46   0.56750  1.0 1.0
   38    33   -50    46  -0.07550 -1.0 2.0
   38    33   -50    46   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    62   0.86500  1.0 1.0
   38    33    50    62  -0.17500 -1.0 2.0
   38    33    50    62   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    47   0.56750  1.0 1.0
   38    40    44    47  -0.07550 -1.0 2.0
   38    40    44    47   0.20000  1.0 3.0
   38    40    44    56   0.56750  1.0 1.0
   38    40    44    56  -0.07550 -1.0 2.0
   38    40    44    56   0.20000  1.0 3.0
   38    40    46    67   0.56750  1.0 1.0
   38    40    46    67  -0.07550 -1.0 2.0
   38    40    46    67   0.20000  1.0 3.0
   38    40   -46    50   0.56750  1.0 1.0
   38    40   -46    50  -0.07550 -1.0 2.0
   38    40   -46    50   0.20000  1.0 3.0
   38    40    46    52   0.56750  1.0 1.0
   38    40    46    52  -0.07550 -1.0 2.0
   38    40    46    52   0.20000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.15000  1.0 3.0
   40    44    47    60   0.56750  1.0 1.0
   40    44    47    60  -0.07550 -1.0 2.0
   40    44    47    60   0.20000  1.0 3.0
   40    44    56    57   0.15000  1.0 3.0
   40    44    56    58   0.15000  1.0 3.0
   40    44    56    59   0.15000  1.0 3.0
   40    46   -50    33   0.56750  1.0 1.0
   40    46   -50    33  -0.07550 -1.0 2.0
   40    46   -50    33   0.20000  1.0 3.0
   40    46    50    51   0.15000  1.0 3.0
   40    46    50    62   0.86500  1.0 1.0
   40    46    50    62  -0.17500 -1.0 2.0
   40    46    50    62   0.20800  1.0 3.0
   40    46    52    53   0.15000  1.0 3.0
   40    46    52    54   0.15000  1.0 3.0
   40    46    52    55   0.15000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    56   0.15000  1.0 3.0
   41    40    46    67   0.15000  1.0 3.0
   41    40    46    50   0.15000  1.0 3.0
   41    40    46    52   0.15000  1.0 3.0
   44    40    46    67   0.56750  1.0 1.0
   44    40    46    67  -0.07550 -1.0 2.0
   44    40    46    67   0.20000  1.0 3.0
   44    40    46    50   0.56750  1.0 1.0
   44    40    46    50  -0.07550 -1.0 2.0
   44    40    46    50   0.20000  1.0 3.0
   44    40    46    52   0.56750  1.0 1.0
   44    40    46    52  -0.07550 -1.0 2.0
   44    40    46    52   0.20000  1.0 3.0
   44    47    60    61   0.15000  1.0 3.0
   44    47    60    64   0.56750  1.0 1.0
   44    47    60    64  -0.07550 -1.0 2.0
   44    47    60    64   0.20000  1.0 3.0
   44    47    60    75   0.62750  1.0 1.0
   44    47    60    75  -0.30950 -1.0 2.0
   44    47    60    75   0.27300  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    60   0.15000  1.0 3.0
   45    44    56    57   0.15000  1.0 3.0
   45    44    56    58   0.15000  1.0 3.0
   45    44    56    59   0.15000  1.0 3.0
   47    44    56    57   0.15000  1.0 3.0
   47    44    56    58   0.15000  1.0 3.0
   47    44    56    59   0.15000  1.0 3.0
   47    60    64    65   0.15000  1.0 3.0
   47    60    64    66   0.34400  1.0 1.0
   47    60    64    66   0.09450 -1.0 2.0
   47    60    64    66   0.11100  1.0 3.0
   47    60    64    67   0.56750  1.0 1.0
   47    60    64    67  -0.07550 -1.0 2.0
   47    60    64    67   0.20000  1.0 3.0
   47    60    75    70  -0.25900  1.0 1.0
   47    60    75    70  -0.47000 -1.0 2.0
   47    60    75    70   0.11750  1.0 3.0
   48    47    60    61   0.15000  1.0 3.0
   48    47    60    64   0.15000  1.0 3.0
   48    47    60    75   0.23400  1.0 3.0
   49    47    60    61   0.15000  1.0 3.0
   49    47    60    64   0.15000  1.0 3.0
   49    47    60    75   0.23400  1.0 3.0
   60    64   -66    70   0.09700  1.0 1.0
   60    64   -66    70   0.15600 -1.0 2.0
   60    64   -66    70  -0.50800  1.0 3.0
   60    64    66    72   0.09850  1.0 1.0
   60    64    66    72   0.15250 -1.0 2.0
   60    64    66    72  -0.50650  1.0 3.0
   60    64    67    68   0.15000  1.0 3.0
   60    64    67    69   0.15000  1.0 3.0
   60    64    67    46   0.56750  1.0 1.0
   60    64    67    46  -0.07550 -1.0 2.0
   60    64    67    46   0.20000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   61    60    75    70   0.08050  1.0 3.0
   64    60   -75    70  -0.25900  1.0 1.0
   64    60   -75    70  -0.47000 -1.0 2.0
   64    60   -75    70   0.11750  1.0 3.0
   64    66    70    71  -0.64400  1.0 1.0
   64    66    70    71   0.26850 -1.0 2.0
   64    66   -70    75  -0.15000  1.0 1.0
   64    66   -70    75   0.89550 -1.0 2.0
   64    66   -70    75  -0.06900  1.0 3.0
   64    66    72    73   7.00000 -1.0 2.0
   64    66    72    74   7.00000 -1.0 2.0
   64    67    46    40   0.56750  1.0 1.0
   64    67    46    40  -0.07550 -1.0 2.0
   64    67    46    40   0.20000  1.0 3.0
   64    67    46    50   0.56750  1.0 1.0
   64    67    46    50  -0.07550 -1.0 2.0
   64    67    46    50   0.20000  1.0 3.0
   64    67    46    52   0.56750  1.0 1.0
   64    67    46    52  -0.07550 -1.0 2.0
   64    67    46    52   0.20000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.00000  1.0 1.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    46   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    46   0.34400  1.0 1.0
   66    64    67    46   0.09450 -1.0 2.0
   66    64    67    46   0.11100  1.0 3.0
   66    70   -75    60   2.00000 -1.0 2.0
   70    66    72    73   7.00000 -1.0 2.0
   70    66    72    74   7.00000 -1.0 2.0
   71    70    75    60   3.00000 -1.0 2.0
   75    60    64    65   0.23400  1.0 3.0
   75    60   -64    66   0.61850  1.0 1.0
   75    60   -64    66  -0.22750 -1.0 2.0
   75    60   -64    66   0.15300  1.0 3.0
   75    60    64    67   0.62750  1.0 1.0
   75    60    64    67  -0.30950 -1.0 2.0
   75    60    64    67   0.27300  1.0 3.0
   72    66    70    71   1.00000 -1.0 2.0
   72    66    70    75  -0.56150  1.0 1.0
   72    66    70    75   2.19150 -1.0 2.0
   67    64    66    70   0.09700  1.0 1.0
   67    64    66    70   0.15600 -1.0 2.0
   67    64    66    70  -0.50800  1.0 3.0
   67    64    66    72   0.09850  1.0 1.0
   67    64    66    72   0.15250 -1.0 2.0
   67    64    66    72  -0.50650  1.0 3.0
   67    46    50    33   0.56750  1.0 1.0
   67    46    50    33  -0.07550 -1.0 2.0
   67    46    50    33   0.20000  1.0 3.0
   67    46    50    51   0.15000  1.0 3.0
   67    46    50    62   0.86500  1.0 1.0
   67    46    50    62  -0.17500 -1.0 2.0
   67    46    50    62   0.20800  1.0 3.0
   67    46    52    53   0.15000  1.0 3.0
   67    46    52    54   0.15000  1.0 3.0
   67    46    52    55   0.15000  1.0 3.0
   68    67    46    40   0.15000  1.0 3.0
   68    67    46    50   0.15000  1.0 3.0
   68    67    46    52   0.15000  1.0 3.0
   69    67    46    40   0.15000  1.0 3.0
   69    67    46    50   0.15000  1.0 3.0
   69    67    46    52   0.15000  1.0 3.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    47   0.56750  1.0 1.0
   46    40    44    47  -0.07550 -1.0 2.0
   46    40    44    47   0.20000  1.0 3.0
   46    40    44    56   0.56750  1.0 1.0
   46    40    44    56  -0.07550 -1.0 2.0
   46    40    44    56   0.20000  1.0 3.0
   46    50    62    63  -0.11600  1.0 1.0
   46    50    62    63  -0.09450 -1.0 2.0
   46    50    62    63   0.21250  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.56750  1.0 1.0
   50    33   -38    40  -0.07550 -1.0 2.0
   50    33   -38    40   0.20000  1.0 3.0
   50    33    38    42   0.86500  1.0 1.0
   50    33    38    42  -0.17500 -1.0 2.0
   50    33    38    42   0.20800  1.0 3.0
   50    46    52    53   0.15000  1.0 3.0
   50    46    52    54   0.15000  1.0 3.0
   50    46    52    55   0.15000  1.0 3.0
   51    50    62    63   0.19450  1.0 3.0
   52    46    50    33   0.56750  1.0 1.0
   52    46    50    33  -0.07550 -1.0 2.0
   52    46    50    33   0.20000  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   52    46    50    62   0.86500  1.0 1.0
   52    46    50    62  -0.17500 -1.0 2.0
   52    46    50    62   0.20800  1.0 3.0
   56    44    47    48   0.15000  1.0 3.0
   56    44    47    49   0.15000  1.0 3.0
   56    44    47    60   0.56750  1.0 1.0
   56    44    47    60  -0.07550 -1.0 2.0
   56    44    47    60   0.20000  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   0.86500  1.0 1.0
   42    38    40    46  -0.17500 -1.0 2.0
   42    38    40    46   0.20800  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
   64    70    66    72   1.10000 -1.0 2.0
   66    75    70    71  10.50000 -1.0 2.0
   73    74    72    66   1.10000 -1.0 2.0
END
