* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    234     435
    1     0 S   NP   _N1_     1    28.71255    97.38900   -23.58120
    2     1 S   H    _HN1     2     1.02788   106.42819   -90.76997
    3     1 S   H    _H1_     3     1.02949    65.65723    12.36105
    4     1 S   H    _H2_     4     1.02829    44.24376   170.24482
    5     1 S   CT   _CA1     5     1.50110   139.81388   105.65718
    6     5 S   HC   _HA1     6     1.09573   105.19055   101.61039
    7     5 S   CO3  _C1_     7     1.53786   112.49119   -18.62606
    8     7 S   O2Z  _O11     8     1.26371   115.00851   -42.13736
    9     7 S   O2Z  _O12     9     1.26242   114.94914   137.01147
   10     5 S   CT   _CB1    10     1.53079   107.42424  -140.39683
   11    10 S   HC   HB11    11     1.09834   109.36938   -49.64946
   12    10 S   HC   HB12    12     1.09812   110.45078    66.96407
   13    10 S   CT   _CG1    13     1.52990   112.60090  -170.61892
   14    13 S   HC   HG11    14     1.09580   110.64490   -65.92320
   15    13 S   HC   HG12    15     1.09672   109.76460    53.30430
   16    13 S   C    _CD1    16     1.51800   112.22002   173.77323
   17    16 S   O    _OE1    17     1.22731   123.26712     7.71922
   18    16 S   N    _N2_    18     1.38643   111.65595  -172.30859
   19    18 S   H    _HN2    19     1.01570   118.97176     1.72101
   20    18 S   CT1  _CA2    20     1.46259   123.47772   177.49118
   21    20 S   HC   _HA2    21     1.09738   109.29759     5.05610
   22    20 S   C    _C2_    22     1.53632   108.77748  -110.40866
   23    22 S   O    _O2_    23     1.23060   122.32210  -149.35659
   24    20 S   CT   _CB2    32     1.53340   111.46696   127.01318
   25    24 S   HC   HB21    33     1.09583   110.00154    55.91327
   26    24 S   HC   HB22    34     1.09447   110.08626   175.06604
   27    22 S   N    _N3_    24     1.38343   113.79331    38.18393
   28    27 S   H    _HN3    25     1.01557   119.57923    -3.29200
   29    24 S   S    _SG2    35     1.82801   111.35359   -64.97954
   30    27 S   CT   _CA3    26     1.45275   123.24411   177.15112
   31    30 S   HC   HA31    27     1.09548   107.51019   -64.81246
   32    30 S   HC   HA32    28     1.09556   107.99872    51.64113
   33    29 S   CT   _C13    36     1.84582    99.51376   170.45746
   34    33 S   HC   _H8_    37     1.09930   103.99205   -58.42759
   35    30 S   CO3  _C3_    29     1.52963   114.05435   173.64313
   36    35 S   O2Z  _O31    30     1.26380   116.07382    -0.48578
   37    35 S   O2Z  _O32    31     1.26428   114.41281   179.57296
   38    33 S   CT   _C12    38     1.56302   113.07823    65.47501
   39    38 S   OM   _O34    39     1.32498   107.24083  -118.58235
   40    38 S   HC   _H7_    40     1.09891   108.00420    12.28246
   41    38 S   CT   _C11    41     1.58628   105.98077   125.44672
   42    41 S   HC   _H6_    42     1.10220   108.94152    88.94489
   43    41 S   CT   _C5_    43     1.56583   113.57596  -151.42969
   44    43 S   HC   _H3_    44     1.09584   109.11126    72.89875
   45    41 S   CT   _C10    62     1.56712   103.86303   -25.65231
   46    43 S   CT   _C6_    45     1.54052   113.74805  -166.74587
   47    46 S   HC   _H13    46     1.09930   109.64752    69.26990
   48    46 S   HC   _H14    47     1.09933   108.72755  -177.13051
   49    33 S   CT   _C14    63     1.53763   113.80437  -174.85151
   50    49 S   HC   _H9_    64     1.09955   106.42322   145.07416
   51    45 S   CT   _C15    67     1.54875   113.02458   -78.42556
   52    51 S   HC   _H18    68     1.09271   112.71009    44.29464
   53    51 S   HC   _H19    69     1.09349   111.74411   -75.73904
   54    51 S   HC   _H20    70     1.09571   111.44948   165.30093
   55    43 S   CT   _C4_    71     1.53970   113.30291   -44.63076
   56    55 S   HC   _H10    72     1.09508   111.33867   -57.23447
   57    55 S   HC   _H11    73     1.09613   110.76086  -176.93075
   58    55 S   HC   _H12    74     1.09384   111.76053    64.72956
   59    46 S   CT   _C7_    48     1.52324   116.59297   -55.24266
   60    59 S   HC   _H4_    49     1.09544   110.59404   -57.69766
   61    49 S   OH   _O33    65     1.41661   115.13981    27.78035
   62    61 S   HO   _H17    66     0.97244   107.32301    40.33866
   63    59 S   CT   _C8_    50     1.51700   113.18430    70.38326
   64    63 S   HC   _H5_    51     1.09851   110.21586    33.44074
   65    63 S   CM   _C16    52     1.49466   100.25035   145.59389
   66    63 S   CT   _C9_    59     1.52809   114.60896   -90.25987
   67    66 S   HC   _H15    60     1.09884   106.55636   174.44067
   68    66 S   HC   _H16    61     1.09943   109.50312   -73.60006
   69    65 S   CO4  _C18    53     1.47630   108.46118   -23.13254
   70    69 S   O    _O35    54     1.21734   127.19185  -169.44990
   71    65 S   CM   _C17    56     1.33617   130.14640   155.61933
   72    71 S   HC   _H21    57     1.08455   121.21287     1.01452
   73    71 S   HC   _H22    58     1.08532   121.65399  -179.26193
   74    59 S   OS   _O36    55     1.44525   107.47550  -173.58500
  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
  14   8   2   1   1  14   6   5  23   8  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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    49    50    61  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    66    45    49    50    61    62    51  
   38    39    40    41    45    49    50    61  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    66    45    49    50    61    51    55  
   40    41    42    43    45    49  
   41    42    43    45    49  
   42    43    44    46    47    48    59    63    66    67    68    45    49    50    61    51    52    53    54    55    56    57    58  
   43    44    46    66    45    49    51    55  
   44    46    47    48    59    60    63    74    66    45    49    51    55    56    57    58  
   46    47    48    59    45    55    56    57    58  
   49    50    61    62    51    52    53    54    55    46    59    63    64    65    66    67    68  
   47    48    59    60    63    64    65    69    74    66    55    56    57    58  
   48    59    60    63    74    55  
   59    60    63    74    55  
   50    61    62    51    52    53    54    63    66    67    68  
   61    62    51    66  
   52    53    54    61    63    66    67    68  
   53    54    66  
   54    66  
   66  
   56    57    58    59  
   57    58  
   58  
    0  
   60    63    64    65    69    70    74    71    66    67    68  
   63    64    65    69    74    66  
   62    66  
    0  
   64    65    69    70    74    71    72    73    66    67    68  
   65    69    74    71    66    67    68  
   69    70    74    71    72    73    66    67    68  
   67    68    69    71    74  
   68  
    0  
   70    74    71    72    73  
   74    71  
   72    73    74  
   73  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   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    49   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    55   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    59   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    74   320.000  1.410
   63    64   340.000  1.090
   63    65   317.000  1.510
   63    66   268.000  1.529
   65    69   320.000  1.462
   65    71   549.000  1.340
   69    70   570.000  1.229
   69    74   214.000  1.327
   71    72   340.000  1.080
   71    73   340.000  1.080
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    45   268.000  1.529
   45    49   268.000  1.529
   45    51   268.000  1.529
   49    50   340.000  1.090
   49    61   320.000  1.410
   61    62   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    49    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    45    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    55    58.35000  112.70000
   41    45    66    58.35000  112.70000
   41    45    49    58.35000  112.70000
   41    45    51    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    59    58.35000  112.70000
   43    55    56    37.50000  110.70000
   43    55    57    37.50000  110.70000
   43    55    58    37.50000  110.70000
   46    43    44    37.50000  110.70000
   46    59    60    37.50000  110.70000
   46    59    63    58.35000  112.70000
   46    59    74    50.00000  109.50000
   48    46    47    33.00000  107.80000
   59    46    47    37.50000  110.70000
   59    46    48    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    70.00000  112.02700
   59    63    66    58.35000  112.70000
   59    74    69    83.00000  116.90000
   63    59    60    37.50000  110.70000
   63    65    69    65.00000  116.34900
   63    65    71    70.00000  124.00000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    45    58.35000  112.70000
   65    63    64    35.00000  109.50000
   65    69    70    80.00000  123.72100
   65    69    74    90.00000  111.29400
   65    71    72    35.00000  120.00000
   65    71    73    35.00000  120.00000
   74    59    60    35.00000  109.50000
   74    59    63    50.00000  109.50000
   74    69    70    83.00000  123.40000
   71    65    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   66    63    64    37.50000  110.70000
   66    63    65    70.00000  112.02700
   66    45    49    58.35000  112.70000
   66    45    51    58.35000  112.70000
   68    66    67    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    66    67    37.50000  110.70000
   45    66    68    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    61    50.00000  109.50000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    37.50000  110.70000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    61    62    55.00000  108.50000
   61    49    50    35.00000  109.50000
   51    45    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    43    44    37.50000  110.70000
   55    43    46    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    45   0.44750  1.0 1.0
   29    33    49    45  -0.17800 -1.0 2.0
   29    33    49    45   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    61   0.56750  1.0 1.0
   29    33    49    61  -0.07550 -1.0 2.0
   29    33    49    61   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38   -41    45   0.56750  1.0 1.0
   33    38   -41    45  -0.07550 -1.0 2.0
   33    38   -41    45   0.20000  1.0 3.0
   33    49    61    62  -0.11600  1.0 1.0
   33    49    61    62  -0.09450 -1.0 2.0
   33    49    61    62   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    45   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    61   0.23400  1.0 3.0
   38    33   -49    45   0.56750  1.0 1.0
   38    33   -49    45  -0.07550 -1.0 2.0
   38    33   -49    45   0.20000  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    61   0.86500  1.0 1.0
   38    33    49    61  -0.17500 -1.0 2.0
   38    33    49    61   0.20800  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    46   0.56750  1.0 1.0
   38    41    43    46  -0.07550 -1.0 2.0
   38    41    43    46   0.20000  1.0 3.0
   38    41    43    55   0.56750  1.0 1.0
   38    41    43    55  -0.07550 -1.0 2.0
   38    41    43    55   0.20000  1.0 3.0
   38    41    45    66   0.56750  1.0 1.0
   38    41    45    66  -0.07550 -1.0 2.0
   38    41    45    66   0.20000  1.0 3.0
   38    41   -45    49   0.56750  1.0 1.0
   38    41   -45    49  -0.07550 -1.0 2.0
   38    41   -45    49   0.20000  1.0 3.0
   38    41    45    51   0.56750  1.0 1.0
   38    41    45    51  -0.07550 -1.0 2.0
   38    41    45    51   0.20000  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    48   0.15000  1.0 3.0
   41    43    46    59   0.56750  1.0 1.0
   41    43    46    59  -0.07550 -1.0 2.0
   41    43    46    59   0.20000  1.0 3.0
   41    43    55    56   0.15000  1.0 3.0
   41    43    55    57   0.15000  1.0 3.0
   41    43    55    58   0.15000  1.0 3.0
   41    45   -49    33   0.56750  1.0 1.0
   41    45   -49    33  -0.07550 -1.0 2.0
   41    45   -49    33   0.20000  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    61   0.86500  1.0 1.0
   41    45    49    61  -0.17500 -1.0 2.0
   41    45    49    61   0.20800  1.0 3.0
   41    45    51    52   0.15000  1.0 3.0
   41    45    51    53   0.15000  1.0 3.0
   41    45    51    54   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    55   0.15000  1.0 3.0
   42    41    45    66   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    45    51   0.15000  1.0 3.0
   43    41    45    66   0.56750  1.0 1.0
   43    41    45    66  -0.07550 -1.0 2.0
   43    41    45    66   0.20000  1.0 3.0
   43    41    45    49   0.56750  1.0 1.0
   43    41    45    49  -0.07550 -1.0 2.0
   43    41    45    49   0.20000  1.0 3.0
   43    41    45    51   0.56750  1.0 1.0
   43    41    45    51  -0.07550 -1.0 2.0
   43    41    45    51   0.20000  1.0 3.0
   43    46    59    60   0.15000  1.0 3.0
   43    46    59    63   0.56750  1.0 1.0
   43    46    59    63  -0.07550 -1.0 2.0
   43    46    59    63   0.20000  1.0 3.0
   43    46    59    74   0.62750  1.0 1.0
   43    46    59    74  -0.30950 -1.0 2.0
   43    46    59    74   0.27300  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    59   0.15000  1.0 3.0
   44    43    55    56   0.15000  1.0 3.0
   44    43    55    57   0.15000  1.0 3.0
   44    43    55    58   0.15000  1.0 3.0
   46    43    55    56   0.15000  1.0 3.0
   46    43    55    57   0.15000  1.0 3.0
   46    43    55    58   0.15000  1.0 3.0
   46    59    63    64   0.15000  1.0 3.0
   46    59    63    65   0.34400  1.0 1.0
   46    59    63    65   0.09450 -1.0 2.0
   46    59    63    65   0.11100  1.0 3.0
   46    59    63    66   0.56750  1.0 1.0
   46    59    63    66  -0.07550 -1.0 2.0
   46    59    63    66   0.20000  1.0 3.0
   46    59    74    69  -0.25900  1.0 1.0
   46    59    74    69  -0.47000 -1.0 2.0
   46    59    74    69   0.11750  1.0 3.0
   47    46    59    60   0.15000  1.0 3.0
   47    46    59    63   0.15000  1.0 3.0
   47    46    59    74   0.23400  1.0 3.0
   48    46    59    60   0.15000  1.0 3.0
   48    46    59    63   0.15000  1.0 3.0
   48    46    59    74   0.23400  1.0 3.0
   59    63   -65    69   0.09700  1.0 1.0
   59    63   -65    69   0.15600 -1.0 2.0
   59    63   -65    69  -0.50800  1.0 3.0
   59    63    65    71   0.09850  1.0 1.0
   59    63    65    71   0.15250 -1.0 2.0
   59    63    65    71  -0.50650  1.0 3.0
   59    63    66    67   0.15000  1.0 3.0
   59    63    66    68   0.15000  1.0 3.0
   59    63    66    45   0.56750  1.0 1.0
   59    63    66    45  -0.07550 -1.0 2.0
   59    63    66    45   0.20000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    74    69   0.08050  1.0 3.0
   63    59   -74    69  -0.25900  1.0 1.0
   63    59   -74    69  -0.47000 -1.0 2.0
   63    59   -74    69   0.11750  1.0 3.0
   63    65    69    70  -0.64400  1.0 1.0
   63    65    69    70   0.26850 -1.0 2.0
   63    65   -69    74  -0.15000  1.0 1.0
   63    65   -69    74   0.89550 -1.0 2.0
   63    65   -69    74  -0.06900  1.0 3.0
   63    65    71    72   7.00000 -1.0 2.0
   63    65    71    73   7.00000 -1.0 2.0
   63    66    45    41   0.56750  1.0 1.0
   63    66    45    41  -0.07550 -1.0 2.0
   63    66    45    41   0.20000  1.0 3.0
   63    66    45    49   0.56750  1.0 1.0
   63    66    45    49  -0.07550 -1.0 2.0
   63    66    45    49   0.20000  1.0 3.0
   63    66    45    51   0.56750  1.0 1.0
   63    66    45    51  -0.07550 -1.0 2.0
   63    66    45    51   0.20000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.00000  1.0 1.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    45   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    45   0.34400  1.0 1.0
   65    63    66    45   0.09450 -1.0 2.0
   65    63    66    45   0.11100  1.0 3.0
   65    69   -74    59   2.00000 -1.0 2.0
   69    65    71    72   7.00000 -1.0 2.0
   69    65    71    73   7.00000 -1.0 2.0
   70    69    74    59   3.00000 -1.0 2.0
   74    59    63    64   0.23400  1.0 3.0
   74    59   -63    65   0.61850  1.0 1.0
   74    59   -63    65  -0.22750 -1.0 2.0
   74    59   -63    65   0.15300  1.0 3.0
   74    59    63    66   0.62750  1.0 1.0
   74    59    63    66  -0.30950 -1.0 2.0
   74    59    63    66   0.27300  1.0 3.0
   71    65    69    70   1.00000 -1.0 2.0
   71    65    69    74  -0.56150  1.0 1.0
   71    65    69    74   2.19150 -1.0 2.0
   66    63    65    69   0.09700  1.0 1.0
   66    63    65    69   0.15600 -1.0 2.0
   66    63    65    69  -0.50800  1.0 3.0
   66    63    65    71   0.09850  1.0 1.0
   66    63    65    71   0.15250 -1.0 2.0
   66    63    65    71  -0.50650  1.0 3.0
   66    45    49    33   0.56750  1.0 1.0
   66    45    49    33  -0.07550 -1.0 2.0
   66    45    49    33   0.20000  1.0 3.0
   66    45    49    50   0.15000  1.0 3.0
   66    45    49    61   0.86500  1.0 1.0
   66    45    49    61  -0.17500 -1.0 2.0
   66    45    49    61   0.20800  1.0 3.0
   66    45    51    52   0.15000  1.0 3.0
   66    45    51    53   0.15000  1.0 3.0
   66    45    51    54   0.15000  1.0 3.0
   67    66    45    41   0.15000  1.0 3.0
   67    66    45    49   0.15000  1.0 3.0
   67    66    45    51   0.15000  1.0 3.0
   68    66    45    41   0.15000  1.0 3.0
   68    66    45    49   0.15000  1.0 3.0
   68    66    45    51   0.15000  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    46   0.56750  1.0 1.0
   45    41    43    46  -0.07550 -1.0 2.0
   45    41    43    46   0.20000  1.0 3.0
   45    41    43    55   0.56750  1.0 1.0
   45    41    43    55  -0.07550 -1.0 2.0
   45    41    43    55   0.20000  1.0 3.0
   45    49    61    62  -0.11600  1.0 1.0
   45    49    61    62  -0.09450 -1.0 2.0
   45    49    61    62   0.21250  1.0 3.0
   49    33    38    39   0.62750  1.0 1.0
   49    33    38    39  -0.30950 -1.0 2.0
   49    33    38    39   0.27300  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    45    51    52   0.15000  1.0 3.0
   49    45    51    53   0.15000  1.0 3.0
   49    45    51    54   0.15000  1.0 3.0
   50    49    61    62   0.19450  1.0 3.0
   51    45    49    33   0.56750  1.0 1.0
   51    45    49    33  -0.07550 -1.0 2.0
   51    45    49    33   0.20000  1.0 3.0
   51    45    49    50   0.15000  1.0 3.0
   51    45    49    61   0.86500  1.0 1.0
   51    45    49    61  -0.17500 -1.0 2.0
   51    45    49    61   0.20800  1.0 3.0
   55    43    46    47   0.15000  1.0 3.0
   55    43    46    48   0.15000  1.0 3.0
   55    43    46    59   0.56750  1.0 1.0
   55    43    46    59  -0.07550 -1.0 2.0
   55    43    46    59   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
   63    69    65    71   1.10000 -1.0 2.0
   65    74    69    70  10.50000 -1.0 2.0
   72    73    71    65   1.10000 -1.0 2.0
END
