* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    137    221     412
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02121    52.35550  -121.70371
    3     1 S   H    _H1_     3     1.02077   106.49547   -20.60299
    4     1 S   H    _H2_     4     1.02115    59.81303    81.82008
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   _C8_    36     1.86129    96.92547  -178.13722
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C9_    37     1.54391   103.80418   -59.99407
   38    37 S   O    _O33    38     1.23020   121.09984   -81.76577
   39    33 S   CT   _C7_    61     1.55818   111.82905  -176.00247
   40    39 S   HC   _H4_    62     1.09882   109.71567   161.09580
   41    37 S   CA   _C10    39     1.47761   119.25000    96.56335
   42    39 S   OH   _O38    63     1.43586   111.59029    44.36467
   43    42 S   HO   _H17    64     0.96743   105.97992    54.64308
   44    41 S   CA   _C11    40     1.39646   119.87277    13.15238
   45    44 S   CA   _C12    41     1.40761   117.86721  -179.70459
   46    45 S   HA   _H9_    42     1.08818   120.83853   179.82306
   47    44 S   CM   _C17    54     1.47298   120.84296     1.12848
   48    45 S   CA   _C13    43     1.39748   121.21258    -0.15451
   49    33 S   CM   _C18    55     1.53169   108.01662    60.27341
   50    47 S   OH   _O37    75     1.38145   113.81519   173.65591
   51    50 S   HO   _H16    76     0.96167   109.71190  -179.97202
   52    48 S   CA   _C14    44     1.38890   120.02932    -0.05935
   53    52 S   HA   _H10    45     1.08778   120.00741  -180.00000
   54    48 S   OS   _O35    49     1.36209   119.93237   179.97202
   55    49 S   CT   _C19    56     1.53108   116.27456    81.42088
   56    55 S   HC   _H5_    57     1.09425   110.67504   167.25928
   57    41 S   CA   _C15    46     1.40358   119.11034  -166.89061
   58    54 S   CT   _C16    50     1.42670   117.05354  -180.00000
   59    58 S   HC   _H12    51     1.09309   109.46749   179.95154
   60    58 S   HC   _H13    52     1.09241   109.51646    59.18247
   61    58 S   HC   _H14    53     1.09267   108.95826   -60.42316
   62    55 S   CT   _C5_    58     1.54243   112.81824    47.73188
   63    55 S   OH   _O36    73     1.42604   108.39056   -75.63733
   64    63 S   HO   _H15    74     0.96930   106.54356   -59.94761
   65    57 S   OH   _O34    47     1.36428   122.98743     0.69998
   66    65 S   HO   _H11    48     0.96994   110.07370    -0.92767
   67    62 S   CT   _C6_    59     1.53639   110.44500   -53.81321
   68    67 S   HC   _H3_    60     1.09715   111.18671   -66.24094
   69    62 S   CT   _C4_    67     1.53655   111.34725  -178.17105
   70    69 S   HC   _H6_    68     1.08583   109.38865  -179.95154
   71    69 S   HC   _H7_    69     1.08512   109.40104    59.99773
   72    69 S   HC   _H8_    70     1.08684   109.34605   -60.04151
   73    62 S   OH   _O40    71     1.43502   107.08153    65.40800
   74    73 S   HO   _H19    72     0.96727   105.97101    60.01553
   75    67 S   OH   _O39    65     1.43184   109.97313   176.09886
   76    75 S   HO   _H18    66     0.96792   106.20633    58.31546
  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  11   5   4   3
  19   2   1   1  14   5  14   7  12   6   1  12  10   4   9   9
  10   2   1   6   3   5  13   6   2   3   2   1   1  12   4   1
   1   1   9   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    47    49    55    67    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    57    47    49    55    56    62    67    68    39    40    42    43    75    63    50  
   35    36  
   36  
    0  
   38    41    44    45    52    57    65    47    49    55    67    39    40    42  
   41    44    57    49    39  
   40    42    43    75    76    69    73    41    47    49    55    62    67    68  
   42    43    75    49    62    67    68  
   44    45    46    48    52    53    57    65    66    47    49    50  
   43    75    49    62    67    68  
   67  
   45    46    48    52    57    65    54    47    49    55    50    51  
   46    48    52    53    57    54    58    47    49    50  
   48    52    54    47  
   49    55    56    62    63    50    51    48    57  
   52    53    57    65    54    58    59    60    61  
   55    56    62    67    69    73    63    64    50    51  
   51    55  
    0  
   53    57    65    66    54    58  
   57    65    54  
   58    59    60    61    57  
   56    62    67    68    75    69    70    71    72    73    74    63    64  
   62    67    69    73    63    64  
   65    66  
   59    60    61  
   60    61  
   61  
    0  
   67    68    75    76    69    70    71    72    73    74    63    64  
   64    67    69    73  
    0  
   66  
    0  
   68    75    76    69    70    71    72    73    74  
   75    76    69    73  
   70    71    72    73    74    75  
   71    72    73  
   72    73  
   73  
   74    75  
    0  
   76  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    49   317.000  1.510
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    57   469.000  1.400
   44    45   469.000  1.400
   44    47   320.000  1.460
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    52   469.000  1.400
   48    54   450.000  1.364
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    65   450.000  1.364
   65    66   553.000  0.945
   54    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    49   549.000  1.340
   47    50   510.000  1.338
   49    55   317.000  1.510
   55    56   340.000  1.090
   55    62   268.000  1.529
   55    63   320.000  1.410
   62    67   268.000  1.529
   62    69   268.000  1.529
   62    73   320.000  1.410
   67    68   340.000  1.090
   67    39   268.000  1.529
   67    75   320.000  1.410
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   75    76   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   63    64   553.000  0.945
   50    51   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    49    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    49    47    70.00000  124.00000
   33    49    55    65.00000  117.92700
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    57    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    63.00000  120.00000
   41    44    47    60.00000  120.93500
   41    57    52    63.00000  120.00000
   41    57    65    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    48    63.00000  120.00000
   44    47    49    60.00000  123.20500
   44    47    50    85.00000  114.86500
   45    48    52    63.00000  120.00000
   45    48    54    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    57    63.00000  120.00000
   48    54    58    75.00000  111.00000
   52    57    65    70.00000  120.00000
   57    41    44    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    65    66    35.00000  113.00000
   54    48    52    70.00000  120.00000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    44    45    60.00000  120.93500
   47    49    55    70.00000  124.00000
   47    50    51    70.00000  107.45700
   49    33    37    70.00000  109.06800
   49    55    56    35.00000  109.50000
   49    55    62    70.00000  112.02700
   49    55    63    90.00000  110.39200
   55    62    67    58.35000  112.70000
   55    62    69    58.35000  112.70000
   55    62    73    50.00000  109.50000
   55    63    64    55.00000  108.50000
   62    55    56    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    39    58.35000  112.70000
   62    67    75    50.00000  109.50000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   62    73    74    55.00000  108.50000
   67    39    40    37.50000  110.70000
   67    39    42    50.00000  109.50000
   67    75    76    55.00000  108.50000
   39    33    37    63.00000  111.10000
   39    33    49    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   75    67    68    35.00000  109.50000
   75    67    39    50.00000  109.50000
   69    62    67    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    62    67    50.00000  109.50000
   73    62    69    50.00000  109.50000
   63    55    56    35.00000  109.50000
   63    55    62    50.00000  109.50000
   50    47    49    80.00000  121.38400
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    49    47   0.42700  1.0 1.0
   29    33    49    47  -0.70350 -1.0 2.0
   29    33    49    47  -0.43150  1.0 3.0
   29    33    49    55   0.30250  1.0 1.0
   29    33    49    55  -0.14950 -1.0 2.0
   29    33    49    55   0.36900  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    37    41    44   2.26350  1.0 1.0
   33    37    41    44   0.76750 -1.0 2.0
   33    37    41    44   0.22500  1.0 3.0
   33    37    41    57   2.26350  1.0 1.0
   33    37    41    57   0.76750 -1.0 2.0
   33    37    41    57   0.22500  1.0 3.0
   33    49    55    56   0.34800  1.0 3.0
   33    49    55    62   0.46850  1.0 1.0
   33    49    55    62   0.08550 -1.0 2.0
   33    49    55    62   0.09800  1.0 3.0
   33    49    55    63   0.18000  1.0 1.0
   33    49    55    63   0.16450 -1.0 2.0
   33    49    55    63   0.04450  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   37    33    49    47  -0.51250  1.0 1.0
   37    33    49    47  -0.88800 -1.0 2.0
   37    33    49    47   0.08850  1.0 3.0
   37    33    49    55   0.17250  1.0 1.0
   37    33    49    55  -0.04100 -1.0 2.0
   37    33    49    55  -0.33850  1.0 3.0
   37    33    39    67  -0.95700  1.0 1.0
   37    33    39    67  -0.18200 -1.0 2.0
   37    33    39    67   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.09450  1.0 1.0
   37    33    39    42  -1.12950 -1.0 2.0
   37    33    39    42   0.54000  1.0 3.0
   37    41    44    45   3.62500 -1.0 2.0
   37    41   -44    47   3.62500 -1.0 2.0
   37    41    57    52   3.62500 -1.0 2.0
   37    41    57    65   3.62500 -1.0 2.0
   38    37    41    44   1.05000 -1.0 2.0
   38    37    41    57   1.05000 -1.0 2.0
   41    44    45    46   3.62500 -1.0 2.0
   41    44    45    48   3.62500 -1.0 2.0
   41    44    47    49   0.15800  1.0 1.0
   41    44    47    49   1.85350 -1.0 2.0
   41    44    47    49  -0.48700  1.0 3.0
   41    44    47    50  -0.01750  1.0 1.0
   41    44    47    50  -0.32000 -1.0 2.0
   41    44    47    50   0.00600  1.0 3.0
   41    57    65    66   0.84100 -1.0 2.0
   44    41    57    52   3.62500 -1.0 2.0
   44    41    57    65   3.62500 -1.0 2.0
   44    45   -48    52   3.62500 -1.0 2.0
   44    45    48    54   3.62500 -1.0 2.0
   44    47   -49    33   7.00000 -1.0 2.0
   44    47    49    55   7.00000 -1.0 2.0
   44    47    50    51   2.00000 -1.0 2.0
   45    44    47    49   0.15800  1.0 1.0
   45    44    47    49   1.85350 -1.0 2.0
   45    44    47    49  -0.48700  1.0 3.0
   45    44    47    50  -0.01750  1.0 1.0
   45    44    47    50  -0.32000 -1.0 2.0
   45    44    47    50   0.00600  1.0 3.0
   45    48    52    53   3.62500 -1.0 2.0
   45    48    52    57   3.62500 -1.0 2.0
   45    48    54    58   1.63200 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   46    45    48    54   3.62500 -1.0 2.0
   48    52   -57    41   3.62500 -1.0 2.0
   48    52    57    65   3.62500 -1.0 2.0
   48    54    58    59   0.08050  1.0 3.0
   48    54    58    60   0.08050  1.0 3.0
   48    54    58    61   0.08050  1.0 3.0
   52    48    54    58   1.63200 -1.0 2.0
   52    57    65    66   0.84100 -1.0 2.0
   53    52    57    41   3.62500 -1.0 2.0
   53    52    57    65   3.62500 -1.0 2.0
   57    41   -44    45   3.62500 -1.0 2.0
   57    41    44    47   3.62500 -1.0 2.0
   54    48    52    53   3.62500 -1.0 2.0
   54    48    52    57   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    48   3.62500 -1.0 2.0
   47    49    55    56   0.00000  1.0 1.0
   47    49    55    62   0.09850  1.0 1.0
   47    49    55    62   0.15250 -1.0 2.0
   47    49    55    62  -0.50650  1.0 3.0
   47    49    55    63   0.67800  1.0 1.0
   47    49    55    63   0.47050 -1.0 2.0
   47    49    55    63  -0.62500  1.0 3.0
   49    33    37    38   0.30150 -1.0 2.0
   49    33   -37    41   0.65300  1.0 1.0
   49    33   -37    41  -0.03850 -1.0 2.0
   49    33   -37    41   0.33900  1.0 3.0
   49    33    39    67   0.34400  1.0 1.0
   49    33    39    67   0.09450 -1.0 2.0
   49    33    39    67   0.11100  1.0 3.0
   49    33    39    40   0.15000  1.0 3.0
   49    33    39    42   1.05650  1.0 1.0
   49    33    39    42   0.15600 -1.0 2.0
   49    33    39    42   0.53150  1.0 3.0
   49    47    50    51  -0.66100  1.0 1.0
   49    47    50    51   1.20850 -1.0 2.0
   49    47    50    51  -0.36000  1.0 3.0
   49    55   -62    67   0.34400  1.0 1.0
   49    55   -62    67   0.09450 -1.0 2.0
   49    55   -62    67   0.11100  1.0 3.0
   49    55    62    69   0.34400  1.0 1.0
   49    55    62    69   0.09450 -1.0 2.0
   49    55    62    69   0.11100  1.0 3.0
   49    55    62    73   1.05650  1.0 1.0
   49    55    62    73   0.15600 -1.0 2.0
   49    55    62    73   0.53150  1.0 3.0
   49    55    63    64  -0.07800  1.0 1.0
   49    55    63    64  -0.21500 -1.0 2.0
   49    55    63    64  -0.03150  1.0 3.0
   55    62    67    68   0.15000  1.0 3.0
   55    62    67    39   0.56750  1.0 1.0
   55    62    67    39  -0.07550 -1.0 2.0
   55    62    67    39   0.20000  1.0 3.0
   55    62    67    75   0.86500  1.0 1.0
   55    62    67    75  -0.17500 -1.0 2.0
   55    62    67    75   0.20800  1.0 3.0
   55    62    69    70   0.15000  1.0 3.0
   55    62    69    71   0.15000  1.0 3.0
   55    62    69    72   0.15000  1.0 3.0
   55    62    73    74  -0.11600  1.0 1.0
   55    62    73    74  -0.09450 -1.0 2.0
   55    62    73    74   0.21250  1.0 3.0
   56    55    62    67   0.15000  1.0 3.0
   56    55    62    69   0.15000  1.0 3.0
   56    55    62    73   0.23400  1.0 3.0
   56    55    63    64   0.19450  1.0 3.0
   62    55    63    64  -0.11600  1.0 1.0
   62    55    63    64  -0.09450 -1.0 2.0
   62    55    63    64   0.21250  1.0 3.0
   62    67   -39    33   0.56750  1.0 1.0
   62    67   -39    33  -0.07550 -1.0 2.0
   62    67   -39    33   0.20000  1.0 3.0
   62    67    39    40   0.15000  1.0 3.0
   62    67    39    42   0.86500  1.0 1.0
   62    67    39    42  -0.17500 -1.0 2.0
   62    67    39    42   0.20800  1.0 3.0
   62    67    75    76  -0.11600  1.0 1.0
   62    67    75    76  -0.09450 -1.0 2.0
   62    67    75    76   0.21250  1.0 3.0
   67    62    69    70   0.15000  1.0 3.0
   67    62    69    71   0.15000  1.0 3.0
   67    62    69    72   0.15000  1.0 3.0
   67    62    73    74  -0.11600  1.0 1.0
   67    62    73    74  -0.09450 -1.0 2.0
   67    62    73    74   0.21250  1.0 3.0
   67    39    42    43  -0.11600  1.0 1.0
   67    39    42    43  -0.09450 -1.0 2.0
   67    39    42    43   0.21250  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    42   0.23400  1.0 3.0
   68    67    75    76   0.19450  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    49    47   0.09850  1.0 1.0
   39    33    49    47   0.15250 -1.0 2.0
   39    33    49    47  -0.50650  1.0 3.0
   39    33   -49    55   0.46850  1.0 1.0
   39    33   -49    55   0.08550 -1.0 2.0
   39    33   -49    55   0.09800  1.0 3.0
   39    67    75    76  -0.11600  1.0 1.0
   39    67    75    76  -0.09450 -1.0 2.0
   39    67    75    76   0.21250  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   75    67    39    33   0.86500  1.0 1.0
   75    67    39    33  -0.17500 -1.0 2.0
   75    67    39    33   0.20800  1.0 3.0
   75    67    39    40   0.23400  1.0 3.0
   75    67    39    42   3.75450  1.0 1.0
   69    62    67    68   0.15000  1.0 3.0
   69    62    67    39   0.56750  1.0 1.0
   69    62    67    39  -0.07550 -1.0 2.0
   69    62    67    39   0.20000  1.0 3.0
   69    62    67    75   0.86500  1.0 1.0
   69    62    67    75  -0.17500 -1.0 2.0
   69    62    67    75   0.20800  1.0 3.0
   69    62    73    74  -0.11600  1.0 1.0
   69    62    73    74  -0.09450 -1.0 2.0
   69    62    73    74   0.21250  1.0 3.0
   73    62    67    68   0.23400  1.0 3.0
   73    62    67    39   0.86500  1.0 1.0
   73    62    67    39  -0.17500 -1.0 2.0
   73    62    67    39   0.20800  1.0 3.0
   73    62    67    75   3.75450  1.0 1.0
   73    62    69    70   0.23400  1.0 3.0
   73    62    69    71   0.23400  1.0 3.0
   73    62    69    72   0.23400  1.0 3.0
   63    55    62    67   0.86500  1.0 1.0
   63    55    62    67  -0.17500 -1.0 2.0
   63    55    62    67   0.20800  1.0 3.0
   63    55    62    69   0.86500  1.0 1.0
   63    55    62    69  -0.17500 -1.0 2.0
   63    55    62    69   0.20800  1.0 3.0
   63    55    62    73   3.75450  1.0 1.0
   50    47    49    33   7.00000 -1.0 2.0
   50    47    49    55   7.00000 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   44    57    41    37   4.00000 -1.0 2.0
   45    47    44    41   4.00000 -1.0 2.0
   48    46    45    44   1.10000 -1.0 2.0
   52    54    48    45   4.00000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   52    65    57    41   4.00000 -1.0 2.0
   44    50    47    49   1.10000 -1.0 2.0
   33    55    49    47   1.10000 -1.0 2.0
END
