* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    142    224     409
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045    37.42978   127.96317
    3     1 S   H    _H1_     3     1.02092    77.80399   -86.80293
    4     1 S   H    _H2_     4     1.02085   100.08038    20.29811
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C9_    36     1.82937    97.82390  -158.15337
   34    33 S   HC   _H4_    37     1.09475   107.21990    40.50637
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C10    38     1.51044   108.58694   159.99972
   39    38 S   CM   _C6_    39     1.45830   109.19828    99.49037
   40    39 S   CM   _C5_    40     1.34925   121.69207  -176.58643
   41    39 S   CT   _C7_    62     1.50849   108.79339     5.90030
   42    41 S   HC   _H3_    63     1.10478   112.18701   135.83775
   43    40 S   C3T  _C13    41     1.51480   119.94491     5.28750
   44    40 S   CT   _C4_    58     1.50880   121.10686  -175.67591
   45    44 S   HC   _H5_    59     1.08556   109.12423    89.96149
   46    44 S   HC   _H6_    60     1.08571   109.15512   -30.14308
   47    44 S   HC   _H7_    61     1.08551   109.17681  -149.87501
   48    33 S   CT   _C8_    64     1.55730   116.88459   -84.67876
   49    41 S   OH   _O35    73     1.42354   109.19230  -104.36639
   50    49 S   HO   _H23    74     0.97162   106.76316   -60.01140
   51    43 S   C3T  _C14    42     1.52214   119.38599  -174.82101
   52    51 S   HC   _H8_    43     1.08493   120.17234   150.38398
   53    51 S   HC   _H9_    44     1.08696   119.44447     4.08787
   54    43 S   CT   _C12    48     1.56049   114.60529   -26.75668
   55    48 S   CT   _C17    65     1.53667   114.98192    38.75389
   56    55 S   HC   _H17    66     1.08580   109.32807    61.28167
   57    55 S   HC   _H18    67     1.08548   109.33324   -58.70947
   58    55 S   HC   _H19    68     1.08533   109.36461  -178.74727
   59    48 S   CT   _C18    69     1.55345   108.80022   158.77441
   60    59 S   HC   _H20    70     1.07982   108.54982   -67.50192
   61    59 S   HC   _H21    71     1.08106   108.50538   172.51533
   62    59 S   HC   _H22    72     1.07976   108.54094    52.58857
   63    43 S   C3T  _C15    45     1.52847   114.77377   118.39394
   64    63 S   HC   _H10    46     1.08012   120.29938     4.15883
   65    63 S   HC   _H11    47     1.08101   118.74220  -142.42104
   66    38 S   CM   _C11    49     1.34422   128.52515   -89.58374
   67    54 S   CT   _C16    52     1.54101   113.49783   156.70708
   68    67 S   HC   _H12    53     1.08482   109.28631    52.81913
   69    67 S   HC   _H13    54     1.08509   109.28297   -67.15312
   70    67 S   HC   _H14    55     1.08566   109.29366   172.87798
   71    54 S   OH   _O33    56     1.43794   106.63654   -86.07071
   72    71 S   HO   _H15    57     0.96651   106.08409    60.92666
   73    66 S   OH   _O34    50     1.38131   122.98274     3.93194
   74    73 S   HO   _H16    51     0.96179   109.80734     0.09065
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  19   7   2   1   1  16  18  19  15   5  19   6   2   1   1  11
   3   1   9   5   4  12   7   3   2   1   3   2   1   1   5   1
   1   8   6   3   2   1   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    66    41    48    55    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    54    66    73    41    42    48    55    56    57    58    59    60    61    62    49  
   38    39    66    41    48    55    59  
   36    37  
   37  
    0  
   39    40    43    54    66    73    74    67    71    44    41    42    48    55    59    49  
   40    43    51    63    54    66    73    44    45    46    47    41    42    48    55    59    49    50  
   43    51    52    53    63    64    65    54    66    67    71    44    45    46    47    41    42    48    49  
   42    48    55    56    57    58    59    60    61    62    49    50    43    44    66  
   48    55    59    49    50  
   51    52    53    63    64    65    54    66    73    67    68    69    70    71    72    44    45    46    47  
   45    46    47    51    54    63  
   46    47  
   47  
    0  
   55    56    57    58    59    60    61    62    49    50    66  
   50    55    59  
    0  
   52    53    63    64    65    54    66    67    71  
   53    63    64    65    54  
   63    64    65    54  
   66    73    74    67    68    69    70    71    72    63    64    65  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    71  
   65  
    0  
   73    74    67    68    69    70    71    72  
   68    69    70    71    72    73  
   69    70    71  
   70    71  
   71  
   72    73  
    0  
   74  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.205000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   380.000  1.444
   38    66   549.000  1.340
   39    40   549.000  1.340
   39    41   317.000  1.510
   40    43   305.000  1.480
   40    44   317.000  1.510
   43    51   260.000  1.509
   43    63   260.000  1.509
   43    54   275.000  1.510
   51    52   340.000  1.088
   51    53   340.000  1.088
   51    63   260.000  1.509
   63    64   340.000  1.088
   63    65   340.000  1.088
   54    66   317.000  1.510
   54    67   268.000  1.529
   54    71   320.000  1.410
   66    73   510.000  1.338
   73    74   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    49   320.000  1.410
   48    55   268.000  1.529
   48    59   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   49    50   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  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    66    70.00000  124.00000
   33    48    41    58.35000  112.70000
   33    48    55    58.35000  112.70000
   33    48    59    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    70.00000  123.01800
   38    39    41    70.00000  124.00000
   38    66    54    70.00000  124.00000
   38    66    73    80.00000  121.38400
   39    40    43    55.00000  125.06700
   39    40    44    70.00000  124.00000
   39    41    42    35.00000  109.50000
   39    41    48    70.00000  112.02700
   39    41    49    90.00000  110.39200
   40    43    51    60.00000  120.58800
   40    43    63    60.00000  120.58800
   40    43    54    65.00000  117.55000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   43    51    52    37.50000  117.20000
   43    51    53    37.50000  117.20000
   43    51    63    10.00000   60.00500
   43    63    51    10.00000   60.00500
   43    63    64    37.50000  117.20000
   43    63    65    37.50000  117.20000
   43    54    66    70.00000  112.02700
   43    54    67    70.00000  112.37300
   43    54    71    50.00000  109.50000
   51    63    64    37.50000  117.20000
   51    63    65    37.50000  117.20000
   53    51    52    35.00000  114.30000
   63    43    51    10.00000   60.00500
   63    51    52    37.50000  117.20000
   63    51    53    37.50000  117.20000
   65    63    64    35.00000  114.30000
   54    43    51    60.00000  120.94000
   54    43    63    60.00000  120.94000
   54    66    73    90.00000  109.34000
   54    67    68    37.50000  110.70000
   54    67    69    37.50000  110.70000
   54    67    70    37.50000  110.70000
   54    71    72    55.00000  108.50000
   66    38    39    70.00000  123.01800
   66    73    74    70.00000  107.45700
   67    54    66    70.00000  112.02700
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    54    66    90.00000  110.39200
   71    54    67    50.00000  109.50000
   44    40    43    65.00000  117.92700
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   41    39    40    70.00000  124.00000
   41    48    55    58.35000  112.70000
   41    48    59    58.35000  112.70000
   41    49    50    55.00000  108.50000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    41    42    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    37.50000  110.70000
   48    59    60    37.50000  110.70000
   48    59    61    37.50000  110.70000
   48    59    62    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    48    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   49    41    42    35.00000  109.50000
   49    41    48    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    66   0.42700  1.0 1.0
   29    33    38    66  -0.70350 -1.0 2.0
   29    33    38    66  -0.43150  1.0 3.0
   29    33    48    41   0.44750  1.0 1.0
   29    33    48    41  -0.17800 -1.0 2.0
   29    33    48    41   0.20200  1.0 3.0
   29    33    48    55   0.44750  1.0 1.0
   29    33    48    55  -0.17800 -1.0 2.0
   29    33    48    55   0.20200  1.0 3.0
   29    33    48    59   0.44750  1.0 1.0
   29    33    48    59  -0.17800 -1.0 2.0
   29    33    48    59   0.20200  1.0 3.0
   33    38    39    40  -0.18600  1.0 3.0
   33    38   -39    41   0.35650  1.0 1.0
   33    38   -39    41   0.31450 -1.0 2.0
   33    38    66    54   7.00000 -1.0 2.0
   33    38    66    73   7.00000 -1.0 2.0
   33    48    55    56   0.15000  1.0 3.0
   33    48    55    57   0.15000  1.0 3.0
   33    48    55    58   0.15000  1.0 3.0
   33    48    59    60   0.15000  1.0 3.0
   33    48    59    61   0.15000  1.0 3.0
   33    48    59    62   0.15000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    66   0.00000  1.0 1.0
   34    33    48    41   0.15000  1.0 3.0
   34    33    48    55   0.15000  1.0 3.0
   34    33    48    59   0.15000  1.0 3.0
   38    33   -48    41   0.34400  1.0 1.0
   38    33   -48    41   0.09450 -1.0 2.0
   38    33   -48    41   0.11100  1.0 3.0
   38    33    48    55   0.34400  1.0 1.0
   38    33    48    55   0.09450 -1.0 2.0
   38    33    48    55   0.11100  1.0 3.0
   38    33    48    59   0.34400  1.0 1.0
   38    33    48    59   0.09450 -1.0 2.0
   38    33    48    59   0.11100  1.0 3.0
   38    39    40    43   7.00000 -1.0 2.0
   38    39    40    44   7.00000 -1.0 2.0
   38    39    41    42   0.00000  1.0 1.0
   38    39   -41    48   0.98200  1.0 1.0
   38    39   -41    48  -0.11900 -1.0 2.0
   38    39   -41    48   0.24250  1.0 3.0
   38    39    41    49  -0.17300  1.0 1.0
   38    39    41    49   0.35150 -1.0 2.0
   38    39    41    49   0.31550  1.0 3.0
   38    66    73    74  -0.66100  1.0 1.0
   38    66    73    74   1.20850 -1.0 2.0
   38    66    73    74  -0.36000  1.0 3.0
   39    38    66    54   7.00000 -1.0 2.0
   39    38    66    73   7.00000 -1.0 2.0
   39    40    43    51   0.09850  1.0 1.0
   39    40    43    51   0.15250 -1.0 2.0
   39    40    43    51  -0.50650  1.0 3.0
   39    40    43    63   0.09850  1.0 1.0
   39    40    43    63   0.15250 -1.0 2.0
   39    40    43    63  -0.50650  1.0 3.0
   39    40   -43    54   0.09850  1.0 1.0
   39    40   -43    54   0.15250 -1.0 2.0
   39    40   -43    54  -0.50650  1.0 3.0
   39    40    44    45   0.00000  1.0 1.0
   39    40    44    46   0.00000  1.0 1.0
   39    40    44    47   0.00000  1.0 1.0
   39    41   -48    33   0.34400  1.0 1.0
   39    41   -48    33   0.09450 -1.0 2.0
   39    41   -48    33   0.11100  1.0 3.0
   39    41    48    55   0.34400  1.0 1.0
   39    41    48    55   0.09450 -1.0 2.0
   39    41    48    55   0.11100  1.0 3.0
   39    41    48    59   0.34400  1.0 1.0
   39    41    48    59   0.09450 -1.0 2.0
   39    41    48    59   0.11100  1.0 3.0
   39    41    49    50  -0.07800  1.0 1.0
   39    41    49    50  -0.21500 -1.0 2.0
   39    41    49    50  -0.03150  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    48   0.09850  1.0 1.0
   40    39    41    48   0.15250 -1.0 2.0
   40    39    41    48  -0.50650  1.0 3.0
   40    39    41    49   0.67800  1.0 1.0
   40    39    41    49   0.47050 -1.0 2.0
   40    39    41    49  -0.62500  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    53   0.15000  1.0 3.0
   40    43   -51    63   0.34400  1.0 1.0
   40    43   -51    63   0.09450 -1.0 2.0
   40    43   -51    63   0.11100  1.0 3.0
   40    43   -63    51   0.34400  1.0 1.0
   40    43   -63    51   0.09450 -1.0 2.0
   40    43   -63    51   0.11100  1.0 3.0
   40    43    63    64   0.15000  1.0 3.0
   40    43    63    65   0.15000  1.0 3.0
   40    43    54    66   0.31000  1.0 1.0
   40    43    54    66   0.14700 -1.0 2.0
   40    43    54    66   0.07550  1.0 3.0
   40    43    54    67   0.34400  1.0 1.0
   40    43    54    67   0.09450 -1.0 2.0
   40    43    54    67   0.11100  1.0 3.0
   40    43    54    71   1.05650  1.0 1.0
   40    43    54    71   0.15600 -1.0 2.0
   40    43    54    71   0.53150  1.0 3.0
   43    40    44    45   0.34800  1.0 3.0
   43    40    44    46   0.34800  1.0 3.0
   43    40    44    47   0.34800  1.0 3.0
   43    51   -63    64   0.15000  1.0 3.0
   43    51   -63    65   0.15000  1.0 3.0
   43    54   -66    38   0.09850  1.0 1.0
   43    54   -66    38   0.15250 -1.0 2.0
   43    54   -66    38  -0.50650  1.0 3.0
   43    54    66    73   0.09700  1.0 1.0
   43    54    66    73   0.15600 -1.0 2.0
   43    54    66    73  -0.50800  1.0 3.0
   43    54    67    68   0.15000  1.0 3.0
   43    54    67    69   0.15000  1.0 3.0
   43    54    67    70   0.15000  1.0 3.0
   43    54    71    72  -0.11600  1.0 1.0
   43    54    71    72  -0.09450 -1.0 2.0
   43    54    71    72   0.21250  1.0 3.0
   51    43   -63    64   0.15000  1.0 3.0
   51    43   -63    65   0.15000  1.0 3.0
   51    43    54    66   0.34400  1.0 1.0
   51    43    54    66   0.09450 -1.0 2.0
   51    43    54    66   0.11100  1.0 3.0
   51    43    54    67   0.07850  1.0 1.0
   51    43    54    67  -0.03950 -1.0 2.0
   51    43    54    67   0.67350  1.0 3.0
   51    43    54    71   0.86500  1.0 1.0
   51    43    54    71  -0.17500 -1.0 2.0
   51    43    54    71   0.20800  1.0 3.0
   52    51   -63    43   0.15000  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    65   0.15000  1.0 3.0
   53    51   -63    43   0.15000  1.0 3.0
   53    51    63    64   0.15000  1.0 3.0
   53    51    63    65   0.15000  1.0 3.0
   63    43   -51    52   0.15000  1.0 3.0
   63    43   -51    53   0.15000  1.0 3.0
   63    43    54    66   0.34400  1.0 1.0
   63    43    54    66   0.09450 -1.0 2.0
   63    43    54    66   0.11100  1.0 3.0
   63    43    54    67   0.07850  1.0 1.0
   63    43    54    67  -0.03950 -1.0 2.0
   63    43    54    67   0.67350  1.0 3.0
   63    43    54    71   0.86500  1.0 1.0
   63    43    54    71  -0.17500 -1.0 2.0
   63    43    54    71   0.20800  1.0 3.0
   54    43    51    52   0.15000  1.0 3.0
   54    43    51    53   0.15000  1.0 3.0
   54    43   -51    63   0.07850  1.0 1.0
   54    43   -51    63  -0.03950 -1.0 2.0
   54    43   -51    63   0.67350  1.0 3.0
   54    43   -63    51   0.07850  1.0 1.0
   54    43   -63    51  -0.03950 -1.0 2.0
   54    43   -63    51   0.67350  1.0 3.0
   54    43    63    64   0.15000  1.0 3.0
   54    43    63    65   0.15000  1.0 3.0
   54    66    73    74   2.00000 -1.0 2.0
   66    38   -39    40   0.28850  1.0 1.0
   66    38   -39    40   2.61350 -1.0 2.0
   66    38   -39    40   0.78400  1.0 3.0
   66    38    39    41  -0.18600  1.0 3.0
   66    54    67    68   0.15000  1.0 3.0
   66    54    67    69   0.15000  1.0 3.0
   66    54    67    70   0.15000  1.0 3.0
   66    54    71    72  -0.07800  1.0 1.0
   66    54    71    72  -0.21500 -1.0 2.0
   66    54    71    72  -0.03150  1.0 3.0
   67    54    66    38   0.09850  1.0 1.0
   67    54    66    38   0.15250 -1.0 2.0
   67    54    66    38  -0.50650  1.0 3.0
   67    54    66    73   0.09700  1.0 1.0
   67    54    66    73   0.15600 -1.0 2.0
   67    54    66    73  -0.50800  1.0 3.0
   67    54    71    72  -0.11600  1.0 1.0
   67    54    71    72  -0.09450 -1.0 2.0
   67    54    71    72   0.21250  1.0 3.0
   71    54    66    38   0.67800  1.0 1.0
   71    54    66    38   0.47050 -1.0 2.0
   71    54    66    38  -0.62500  1.0 3.0
   71    54    66    73   0.09700  1.0 1.0
   71    54    66    73   0.15600 -1.0 2.0
   71    54    66    73  -0.50800  1.0 3.0
   71    54    67    68   0.23400  1.0 3.0
   71    54    67    69   0.23400  1.0 3.0
   71    54    67    70   0.23400  1.0 3.0
   44    40    43    51   0.46850  1.0 1.0
   44    40    43    51   0.08550 -1.0 2.0
   44    40    43    51   0.09800  1.0 3.0
   44    40    43    63   0.46850  1.0 1.0
   44    40    43    63   0.08550 -1.0 2.0
   44    40    43    63   0.09800  1.0 3.0
   44    40    43    54   0.46850  1.0 1.0
   44    40    43    54   0.08550 -1.0 2.0
   44    40    43    54   0.09800  1.0 3.0
   41    39    40    43   7.00000 -1.0 2.0
   41    39    40    44   7.00000 -1.0 2.0
   41    48    55    56   0.15000  1.0 3.0
   41    48    55    57   0.15000  1.0 3.0
   41    48    55    58   0.15000  1.0 3.0
   41    48    59    60   0.15000  1.0 3.0
   41    48    59    61   0.15000  1.0 3.0
   41    48    59    62   0.15000  1.0 3.0
   42    41    48    33   0.15000  1.0 3.0
   42    41    48    55   0.15000  1.0 3.0
   42    41    48    59   0.15000  1.0 3.0
   42    41    49    50   0.19450  1.0 3.0
   48    33   -38    39   0.98200  1.0 1.0
   48    33   -38    39  -0.11900 -1.0 2.0
   48    33   -38    39   0.24250  1.0 3.0
   48    33    38    66   0.09850  1.0 1.0
   48    33    38    66   0.15250 -1.0 2.0
   48    33    38    66  -0.50650  1.0 3.0
   48    41    49    50  -0.11600  1.0 1.0
   48    41    49    50  -0.09450 -1.0 2.0
   48    41    49    50   0.21250  1.0 3.0
   55    48    59    60   0.15000  1.0 3.0
   55    48    59    61   0.15000  1.0 3.0
   55    48    59    62   0.15000  1.0 3.0
   59    48    55    56   0.15000  1.0 3.0
   59    48    55    57   0.15000  1.0 3.0
   59    48    55    58   0.15000  1.0 3.0
   49    41    48    33   0.86500  1.0 1.0
   49    41    48    33  -0.17500 -1.0 2.0
   49    41    48    33   0.20800  1.0 3.0
   49    41    48    55   0.86500  1.0 1.0
   49    41    48    55  -0.17500 -1.0 2.0
   49    41    48    55   0.20800  1.0 3.0
   49    41    48    59   0.86500  1.0 1.0
   49    41    48    59  -0.17500 -1.0 2.0
   49    41    48    59   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
   33    39    38    66   1.10000 -1.0 2.0
   38    41    39    40   1.10000 -1.0 2.0
   43    44    40    39   1.10000 -1.0 2.0
   54    73    66    38   1.10000 -1.0 2.0
END
