* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    237     440
    1     0 S   NP   _N1_     1    28.72991    95.65622   -23.74700
    2     1 S   H    _HN1     2     1.02950    76.88076    12.08349
    3     1 S   H    _H1_     3     1.02829    32.69354   169.22420
    4     1 S   H    _H2_     4     1.02785   106.65631   -93.45463
    5     1 S   CT   _CA1     5     1.50113   134.84985   117.93144
    6     5 S   HC   _HA1     6     1.09573   105.19838    86.02617
    7     5 S   CO3  _C1_     7     1.53786   112.44418   -34.20963
    8     7 S   O2Z  _O11     8     1.26372   115.00515   -42.89480
    9     7 S   O2Z  _O12     9     1.26238   114.94492   136.22368
   10     5 S   CT   _CB1    10     1.53080   107.42187  -155.99817
   11    10 S   HC   HB11    11     1.09832   109.37047   -49.79035
   12    10 S   HC   HB12    12     1.09813   110.44990    66.81576
   13    10 S   CT   _CG1    13     1.52991   112.60555  -170.77212
   14    13 S   HC   HG11    14     1.09584   110.62068   -65.53563
   15    13 S   HC   HG12    15     1.09670   109.79704    53.69548
   16    13 S   C    _CD1    16     1.51803   112.23058   174.14141
   17    16 S   O    _OE1    17     1.22732   123.28667     6.49196
   18    16 S   N    _N2_    18     1.38652   111.66602  -173.60512
   19    18 S   H    _HN2    19     1.01582   118.95252     1.68412
   20    18 S   CT1  _CA2    20     1.46197   123.39032   177.58962
   21    20 S   HC   _HA2    21     1.09736   109.35210     2.24594
   22    20 S   C    _C2_    22     1.53549   108.70679  -113.25137
   23    22 S   O    _O2_    23     1.23062   122.26046  -148.72072
   24    20 S   CT   _CB2    32     1.53318   111.55270   124.24208
   25    24 S   HC   HB21    33     1.09513   109.94961    56.33701
   26    24 S   HC   HB22    34     1.09512   110.18446   175.39700
   27    22 S   N    _N3_    24     1.38324   113.73329    38.76839
   28    27 S   H    _HN3    25     1.01585   119.58099    -3.37615
   29    24 S   S    _SG2    35     1.82803   111.46665   -64.87263
   30    27 S   CT   _CA3    26     1.45284   123.20531   177.11052
   31    30 S   HC   HA31    27     1.09549   107.51802   -64.43738
   32    30 S   HC   HA32    28     1.09558   107.97485    51.99705
   33    29 S   CT   _C12    36     1.84730    99.51940  -177.04216
   34    33 S   HC   _H7_    37     1.09650   106.24218    48.39485
   35    30 S   CO3  _C3_    29     1.52956   114.08736   173.99789
   36    35 S   O2Z  _O31    30     1.26376   116.07264    -0.36530
   37    35 S   O2Z  _O32    31     1.26430   114.41034   179.68847
   38    33 S   CT   _C11    38     1.57975   117.07384   168.86626
   39    38 S   HC   _H6_    39     1.10222   105.00678  -150.36837
   40    38 S   CT   _C5_    40     1.55703   115.90159   -33.90551
   41    40 S   HC   _H3_    41     1.09625   108.99646    65.76800
   42    38 S   CT   _C10    59     1.56574   103.89156    98.54007
   43    40 S   CT   _C6_    42     1.54300   116.35911  -173.20413
   44    43 S   HC   _H13    43     1.09996   109.62130    76.84534
   45    43 S   HC   _H14    44     1.09983   108.15740  -170.40300
   46    42 S   CT   _C14    60     1.55479    99.94439    39.37876
   47    46 S   HC   _H9_    61     1.09811   110.92592    75.29860
   48    42 S   CT   _C15    68     1.54842   112.96593   -78.34613
   49    48 S   HC   _H19    69     1.09190   112.93796    59.65923
   50    48 S   HC   _H20    70     1.09223   112.03321   -61.46450
   51    48 S   HC   _H21    71     1.09636   111.23211   178.76046
   52    40 S   CT   _C4_    72     1.54654   111.19853   -53.12740
   53    52 S   HC   _H10    73     1.09605   110.80842   -59.52511
   54    52 S   HC   _H11    74     1.09617   110.63624  -178.98896
   55    52 S   HC   _H12    75     1.08998   113.55241    61.35369
   56    43 S   CT   _C7_    45     1.51966   118.01808   -47.70437
   57    56 S   HC   _H4_    46     1.09429   111.22913   -57.24401
   58    33 S   CT   _C13    62     1.54126   108.32660   -71.52978
   59    58 S   HC   _H8_    63     1.09598   113.63468   -10.48143
   60    46 S   OH   _O33    66     1.41896   112.45818  -164.81736
   61    60 S   HO   _H17    67     0.97297   107.32614   173.49015
   62    56 S   CT   _C8_    47     1.51446   111.98487    71.15550
   63    62 S   HC   _H5_    48     1.09880   110.28601    30.95999
   64    58 S   OH   _O34    64     1.42426   111.28816   109.29821
   65    64 S   HO   _H18    65     0.97256   108.34847    55.21759
   66    62 S   CM   _C16    49     1.49385   100.62563   143.53330
   67    62 S   CT   _C9_    56     1.52364   114.33178   -92.16988
   68    67 S   HC   _H15    57     1.09912   106.26854   171.02447
   69    67 S   HC   _H16    58     1.09915   109.46474   -77.38625
   70    66 S   CO4  _C18    50     1.47570   108.56089   -21.96292
   71    70 S   O    _O35    51     1.21727   127.19424  -170.02666
   72    66 S   CM   _C17    53     1.33620   130.01679   156.88499
   73    72 S   HC   _H22    54     1.08460   121.19819     0.95818
   74    72 S   HC   _H23    55     1.08538   121.66231  -179.31130
   75    56 S   OS   _O36    52     1.44557   107.37316  -173.37824
  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
  17   8   2   1   1  26   9  17   9  20  14   6   5  15   7   9
   3   2   1   4   2   1   1  11   6   6   3   3   1  11   7   1
   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    46    58    59    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    67    42    46    47    58    59    64    65    60    48    52  
   38    39    40    42    46    58    59    64  
   36    37  
   37  
    0  
   39    40    41    43    44    45    56    62    67    68    69    42    46    47    58    59    64    60    48    49    50    51    52    53    54    55  
   40    41    43    67    42    46    58    48    52  
   41    43    44    45    56    57    62    75    67    42    46    58    48    52    53    54    55  
   43    44    45    56    42    52    53    54    55  
   46    47    58    59    64    60    61    48    49    50    51    52    43    56    62    63    66    67    68    69  
   44    45    56    57    62    63    66    70    75    67    52    53    54    55  
   45    56    57    62    75    52  
   56    57    62    75    52  
   47    58    59    64    65    60    61    48    49    50    51    62    67    68    69  
   58    59    64    60    61    48    67  
   49    50    51    58    60    62    67    68    69  
   50    51    67  
   51    67  
   67  
   53    54    55    56  
   54    55  
   55  
    0  
   57    62    63    66    70    71    75    72    67    68    69  
   62    63    66    70    75    67  
   59    64    65    60    61    67  
   64    65    60  
   61    64    67  
    0  
   63    66    70    71    75    72    73    74    67    68    69  
   66    70    75    72    67    68    69  
   65  
    0  
   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  -0.060000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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    58   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   268.000  1.529
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    52   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    56   268.000  1.529
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    75   320.000  1.410
   62    63   340.000  1.090
   62    66   317.000  1.510
   62    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    42   268.000  1.529
   42    46   268.000  1.529
   42    48   268.000  1.529
   46    47   340.000  1.090
   46    58   268.000  1.529
   46    60   320.000  1.410
   58    59   340.000  1.090
   58    64   320.000  1.410
   64    65   553.000  0.945
   60    61   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    58.35000  112.70000
   33    58    46    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    52    58.35000  112.70000
   38    42    67    58.35000  112.70000
   38    42    46    58.35000  112.70000
   38    42    48    58.35000  112.70000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    56    58.35000  112.70000
   40    52    53    37.50000  110.70000
   40    52    54    37.50000  110.70000
   40    52    55    37.50000  110.70000
   43    40    41    37.50000  110.70000
   43    56    57    37.50000  110.70000
   43    56    62    58.35000  112.70000
   43    56    75    50.00000  109.50000
   45    43    44    33.00000  107.80000
   56    43    44    37.50000  110.70000
   56    43    45    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    66    70.00000  112.02700
   56    62    67    58.35000  112.70000
   56    75    70    83.00000  116.90000
   62    56    57    37.50000  110.70000
   62    66    70    65.00000  116.34900
   62    66    72    70.00000  124.00000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    42    58.35000  112.70000
   66    62    63    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    56    57    35.00000  109.50000
   75    56    62    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    62    63    37.50000  110.70000
   67    62    66    70.00000  112.02700
   67    42    46    58.35000  112.70000
   67    42    48    58.35000  112.70000
   69    67    68    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    58.35000  112.70000
   42    67    68    37.50000  110.70000
   42    67    69    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    58    58.35000  112.70000
   42    46    60    50.00000  109.50000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    51    37.50000  110.70000
   46    58    59    37.50000  110.70000
   46    58    64    50.00000  109.50000
   46    60    61    55.00000  108.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    46    47    37.50000  110.70000
   58    64    65    55.00000  108.50000
   64    58    59    35.00000  109.50000
   60    46    47    35.00000  109.50000
   60    46    58    50.00000  109.50000
   48    42    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    40    41    37.50000  110.70000
   52    40    43    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
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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    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   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    58    46   0.44750  1.0 1.0
   29    33    58    46  -0.17800 -1.0 2.0
   29    33    58    46   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    64   0.56750  1.0 1.0
   29    33    58    64  -0.07550 -1.0 2.0
   29    33    58    64   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    52   0.56750  1.0 1.0
   33    38    40    52  -0.07550 -1.0 2.0
   33    38    40    52   0.20000  1.0 3.0
   33    38    42    67   0.56750  1.0 1.0
   33    38    42    67  -0.07550 -1.0 2.0
   33    38    42    67   0.20000  1.0 3.0
   33    38   -42    46   0.56750  1.0 1.0
   33    38   -42    46  -0.07550 -1.0 2.0
   33    38   -42    46   0.20000  1.0 3.0
   33    38    42    48   0.56750  1.0 1.0
   33    38    42    48  -0.07550 -1.0 2.0
   33    38    42    48   0.20000  1.0 3.0
   33    58    64    65  -0.11600  1.0 1.0
   33    58    64    65  -0.09450 -1.0 2.0
   33    58    64    65   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   0.15000  1.0 3.0
   34    33    58    46   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    64   0.23400  1.0 3.0
   38    33   -58    46   0.56750  1.0 1.0
   38    33   -58    46  -0.07550 -1.0 2.0
   38    33   -58    46   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    64   0.86500  1.0 1.0
   38    33    58    64  -0.17500 -1.0 2.0
   38    33    58    64   0.20800  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    45   0.15000  1.0 3.0
   38    40    43    56   0.56750  1.0 1.0
   38    40    43    56  -0.07550 -1.0 2.0
   38    40    43    56   0.20000  1.0 3.0
   38    40    52    53   0.15000  1.0 3.0
   38    40    52    54   0.15000  1.0 3.0
   38    40    52    55   0.15000  1.0 3.0
   38    42    46    47   0.15000  1.0 3.0
   38    42   -46    58   0.56750  1.0 1.0
   38    42   -46    58  -0.07550 -1.0 2.0
   38    42   -46    58   0.20000  1.0 3.0
   38    42    46    60   0.86500  1.0 1.0
   38    42    46    60  -0.17500 -1.0 2.0
   38    42    46    60   0.20800  1.0 3.0
   38    42    48    49   0.15000  1.0 3.0
   38    42    48    50   0.15000  1.0 3.0
   38    42    48    51   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    52   0.15000  1.0 3.0
   39    38    42    67   0.15000  1.0 3.0
   39    38    42    46   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   40    38    42    67   0.56750  1.0 1.0
   40    38    42    67  -0.07550 -1.0 2.0
   40    38    42    67   0.20000  1.0 3.0
   40    38    42    46   0.56750  1.0 1.0
   40    38    42    46  -0.07550 -1.0 2.0
   40    38    42    46   0.20000  1.0 3.0
   40    38    42    48   0.56750  1.0 1.0
   40    38    42    48  -0.07550 -1.0 2.0
   40    38    42    48   0.20000  1.0 3.0
   40    43    56    57   0.15000  1.0 3.0
   40    43    56    62   0.56750  1.0 1.0
   40    43    56    62  -0.07550 -1.0 2.0
   40    43    56    62   0.20000  1.0 3.0
   40    43    56    75   0.62750  1.0 1.0
   40    43    56    75  -0.30950 -1.0 2.0
   40    43    56    75   0.27300  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    56   0.15000  1.0 3.0
   41    40    52    53   0.15000  1.0 3.0
   41    40    52    54   0.15000  1.0 3.0
   41    40    52    55   0.15000  1.0 3.0
   43    40    52    53   0.15000  1.0 3.0
   43    40    52    54   0.15000  1.0 3.0
   43    40    52    55   0.15000  1.0 3.0
   43    56    62    63   0.15000  1.0 3.0
   43    56    62    66   0.34400  1.0 1.0
   43    56    62    66   0.09450 -1.0 2.0
   43    56    62    66   0.11100  1.0 3.0
   43    56    62    67   0.56750  1.0 1.0
   43    56    62    67  -0.07550 -1.0 2.0
   43    56    62    67   0.20000  1.0 3.0
   43    56    75    70  -0.25900  1.0 1.0
   43    56    75    70  -0.47000 -1.0 2.0
   43    56    75    70   0.11750  1.0 3.0
   44    43    56    57   0.15000  1.0 3.0
   44    43    56    62   0.15000  1.0 3.0
   44    43    56    75   0.23400  1.0 3.0
   45    43    56    57   0.15000  1.0 3.0
   45    43    56    62   0.15000  1.0 3.0
   45    43    56    75   0.23400  1.0 3.0
   56    62   -66    70   0.09700  1.0 1.0
   56    62   -66    70   0.15600 -1.0 2.0
   56    62   -66    70  -0.50800  1.0 3.0
   56    62    66    72   0.09850  1.0 1.0
   56    62    66    72   0.15250 -1.0 2.0
   56    62    66    72  -0.50650  1.0 3.0
   56    62    67    68   0.15000  1.0 3.0
   56    62    67    69   0.15000  1.0 3.0
   56    62    67    42   0.56750  1.0 1.0
   56    62    67    42  -0.07550 -1.0 2.0
   56    62    67    42   0.20000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    66   0.15000  1.0 3.0
   57    56    62    67   0.15000  1.0 3.0
   57    56    75    70   0.08050  1.0 3.0
   62    56   -75    70  -0.25900  1.0 1.0
   62    56   -75    70  -0.47000 -1.0 2.0
   62    56   -75    70   0.11750  1.0 3.0
   62    66    70    71  -0.64400  1.0 1.0
   62    66    70    71   0.26850 -1.0 2.0
   62    66   -70    75  -0.15000  1.0 1.0
   62    66   -70    75   0.89550 -1.0 2.0
   62    66   -70    75  -0.06900  1.0 3.0
   62    66    72    73   7.00000 -1.0 2.0
   62    66    72    74   7.00000 -1.0 2.0
   62    67    42    38   0.56750  1.0 1.0
   62    67    42    38  -0.07550 -1.0 2.0
   62    67    42    38   0.20000  1.0 3.0
   62    67    42    46   0.56750  1.0 1.0
   62    67    42    46  -0.07550 -1.0 2.0
   62    67    42    46   0.20000  1.0 3.0
   62    67    42    48   0.56750  1.0 1.0
   62    67    42    48  -0.07550 -1.0 2.0
   62    67    42    48   0.20000  1.0 3.0
   63    62    66    70   0.15000  1.0 3.0
   63    62    66    72   0.00000  1.0 1.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    42   0.15000  1.0 3.0
   66    62    67    68   0.15000  1.0 3.0
   66    62    67    69   0.15000  1.0 3.0
   66    62    67    42   0.34400  1.0 1.0
   66    62    67    42   0.09450 -1.0 2.0
   66    62    67    42   0.11100  1.0 3.0
   66    70   -75    56   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    56   3.00000 -1.0 2.0
   75    56    62    63   0.23400  1.0 3.0
   75    56   -62    66   0.61850  1.0 1.0
   75    56   -62    66  -0.22750 -1.0 2.0
   75    56   -62    66   0.15300  1.0 3.0
   75    56    62    67   0.62750  1.0 1.0
   75    56    62    67  -0.30950 -1.0 2.0
   75    56    62    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    62    66    70   0.09700  1.0 1.0
   67    62    66    70   0.15600 -1.0 2.0
   67    62    66    70  -0.50800  1.0 3.0
   67    62    66    72   0.09850  1.0 1.0
   67    62    66    72   0.15250 -1.0 2.0
   67    62    66    72  -0.50650  1.0 3.0
   67    42    46    47   0.15000  1.0 3.0
   67    42    46    58   0.56750  1.0 1.0
   67    42    46    58  -0.07550 -1.0 2.0
   67    42    46    58   0.20000  1.0 3.0
   67    42    46    60   0.86500  1.0 1.0
   67    42    46    60  -0.17500 -1.0 2.0
   67    42    46    60   0.20800  1.0 3.0
   67    42    48    49   0.15000  1.0 3.0
   67    42    48    50   0.15000  1.0 3.0
   67    42    48    51   0.15000  1.0 3.0
   68    67    42    38   0.15000  1.0 3.0
   68    67    42    46   0.15000  1.0 3.0
   68    67    42    48   0.15000  1.0 3.0
   69    67    42    38   0.15000  1.0 3.0
   69    67    42    46   0.15000  1.0 3.0
   69    67    42    48   0.15000  1.0 3.0
   42    38    40    41   0.15000  1.0 3.0
   42    38    40    43   0.56750  1.0 1.0
   42    38    40    43  -0.07550 -1.0 2.0
   42    38    40    43   0.20000  1.0 3.0
   42    38    40    52   0.56750  1.0 1.0
   42    38    40    52  -0.07550 -1.0 2.0
   42    38    40    52   0.20000  1.0 3.0
   42    46   -58    33   0.56750  1.0 1.0
   42    46   -58    33  -0.07550 -1.0 2.0
   42    46   -58    33   0.20000  1.0 3.0
   42    46    58    59   0.15000  1.0 3.0
   42    46    58    64   0.86500  1.0 1.0
   42    46    58    64  -0.17500 -1.0 2.0
   42    46    58    64   0.20800  1.0 3.0
   42    46    60    61  -0.11600  1.0 1.0
   42    46    60    61  -0.09450 -1.0 2.0
   42    46    60    61   0.21250  1.0 3.0
   46    42    48    49   0.15000  1.0 3.0
   46    42    48    50   0.15000  1.0 3.0
   46    42    48    51   0.15000  1.0 3.0
   46    58    64    65  -0.11600  1.0 1.0
   46    58    64    65  -0.09450 -1.0 2.0
   46    58    64    65   0.21250  1.0 3.0
   47    46    58    33   0.15000  1.0 3.0
   47    46    58    59   0.15000  1.0 3.0
   47    46    58    64   0.23400  1.0 3.0
   47    46    60    61   0.19450  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.56750  1.0 1.0
   58    33    38    40  -0.07550 -1.0 2.0
   58    33    38    40   0.20000  1.0 3.0
   58    33   -38    42   0.56750  1.0 1.0
   58    33   -38    42  -0.07550 -1.0 2.0
   58    33   -38    42   0.20000  1.0 3.0
   58    46    60    61  -0.11600  1.0 1.0
   58    46    60    61  -0.09450 -1.0 2.0
   58    46    60    61   0.21250  1.0 3.0
   59    58    64    65   0.19450  1.0 3.0
   60    46    58    33   0.86500  1.0 1.0
   60    46    58    33  -0.17500 -1.0 2.0
   60    46    58    33   0.20800  1.0 3.0
   60    46    58    59   0.23400  1.0 3.0
   60    46    58    64   3.75450  1.0 1.0
   48    42    46    47   0.15000  1.0 3.0
   48    42    46    58   0.56750  1.0 1.0
   48    42    46    58  -0.07550 -1.0 2.0
   48    42    46    58   0.20000  1.0 3.0
   48    42    46    60   0.86500  1.0 1.0
   48    42    46    60  -0.17500 -1.0 2.0
   48    42    46    60   0.20800  1.0 3.0
   52    40    43    44   0.15000  1.0 3.0
   52    40    43    45   0.15000  1.0 3.0
   52    40    43    56   0.56750  1.0 1.0
   52    40    43    56  -0.07550 -1.0 2.0
   52    40    43    56   0.20000  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
   62    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
