* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    210     394
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02072    93.03606   -63.99781
    3     1 S   H    _H1_     3     1.02071    87.39299    44.61873
    4     1 S   H    _H2_     4     1.02093    33.13106   175.62400
    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   _C15    36     1.84266    97.50494  -178.15390
   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   CM   _C14    37     1.51120   107.16207    60.01902
   38    37 S   HC   _H9_    38     1.08729   118.73531    46.73937
   39    33 S   OH   _O38    74     1.42554   110.55273   176.75508
   40    39 S   HO   _H16    75     0.96986   106.56975   -56.60358
   41    37 S   CM   _C13    39     1.34034   122.20304  -127.69905
   42    41 S   CT   _C20    40     1.51576   125.06385    -3.40214
   43    42 S   CA   _C7_    41     1.49869    99.50919   154.16302
   44    42 S   CMA  _C19    61     1.51859   107.12896    32.07477
   45    44 S   OM   _O37    62     1.22715   124.04560   131.81929
   46    42 S   CT   _C21    70     1.53462   111.70983   -89.13987
   47    46 S   HC   _H13    71     1.08597   109.45139    70.19867
   48    46 S   HC   _H14    72     1.08672   109.39607   -49.77253
   49    46 S   HC   _H15    73     1.08589   109.49632  -169.79386
   50    43 S   CA   _C8_    42     1.40063   108.67364    10.53344
   51    33 S   CM   _C16    63     1.51844   108.08677   -62.99074
   52    50 S   CA   _C9_    43     1.37866   122.46896   177.35447
   53    41 S   OS   _O35    60     1.39621   122.64238   164.23401
   54    51 S   CO4  _C17    64     1.34066   125.79287   -76.93858
   55    54 S   O    _O36    65     1.26500   130.64901  -175.72905
   56    52 S   CA   _C10    44     1.39566   117.39616     0.00000
   57    56 S   OM   _O33    45     1.28543   119.66653   179.84549
   58    52 S   CO4  _C11    54     1.46259   118.96422   179.69290
   59    58 S   O    _O34    55     1.22776   124.68016   120.53992
   60    54 S   CT   _C18    66     1.51803   117.87718     4.24778
   61    60 S   HC   _H10    67     1.09600   112.04135    90.01297
   62    60 S   HC   _H11    68     1.09836   111.30302   -29.44085
   63    60 S   HC   _H12    69     1.09784   111.32304  -150.57343
   64    56 S   CA   _C5_    46     1.40633   120.76439    -0.29936
   65    58 S   CT   _C12    56     1.49776   117.23918   -59.68591
   66    65 S   HC   _H6_    57     1.10141   114.05957    90.01274
   67    65 S   HC   _H7_    58     1.10078   113.28092   -33.34694
   68    65 S   HC   _H8_    59     1.10473   112.96131  -151.84957
   69    43 S   CA   _C6_    47     1.38251   130.90848  -173.11784
   70    64 S   CT   _C4_    50     1.50371   121.27147  -179.57158
   71    70 S   HC   _H3_    51     1.09254   109.74989    90.03784
   72    70 S   HC   _H4_    52     1.09335   110.70096  -149.45345
   73    70 S   HC   _H5_    53     1.09322   110.64980   -30.46217
   74    69 S   OH   _O39    48     1.35866   120.94991     1.85520
   75    74 S   HO   _H17    49     0.97141   110.43045     0.05234
  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
  13   2   1   1  12   5   5   1  13  15  17  12   3   7   2   1
   1  10   6  12   3   5   4  11   4   6   4   3   2   1   1   7
   3   2   1   1   6   4   2   1   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    51    54    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    53    44    45    51    54    55    60    39    40  
   35    36  
   36  
    0  
   38    41    42    43    50    53    44    51    54    46    39    40  
   41    42    53    51    39  
   40    41    44    51    54  
   51  
   42    43    50    52    69    53    44    45    51    46    47    48    49  
   43    50    52    64    69    74    53    44    45    51    54    46    47    48    49  
   50    52    56    64    69    74    75    70    58    53    44    45    51    46    47    48    49  
   45    51    54    55    60    46    47    48    49    50    53    69  
   51    54    46  
   47    48    49    50    51    53    69  
   48    49  
   49  
    0  
   52    56    57    64    69    74    58    59    65    53  
   54    55    60    61    62    63  
   56    57    64    69    70    58    59    65    66    67    68    53  
   56    58    69  
   55    60    61    62    63  
   60    61    62    63  
   57    64    69    74    70    71    72    73    58    59    65  
   64    69    70    58  
   59    65    66    67    68    64  
   65    66    67    68  
   61    62    63  
   62    63  
   63  
    0  
   69    74    75    70    71    72    73  
   66    67    68  
   67    68  
   68  
    0  
   74    75    70    71    72    73  
   71    72    73    74  
   72    73  
   73  
    0  
   75  
    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   0.432500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   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  1.510
   33    51   317.000  1.510
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    42   317.000  1.510
   41    53   440.000  1.360
   42    43   317.000  1.510
   42    44   270.000  1.512
   42    46   268.000  1.529
   43    50   469.000  1.400
   43    69   469.000  1.400
   50    52   469.000  1.400
   50    53   450.000  1.364
   52    56   469.000  1.400
   52    58   310.000  1.470
   56    57   450.000  1.364
   56    64   469.000  1.400
   64    69   469.000  1.400
   64    70   317.000  1.510
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   58    59   570.000  1.229
   58    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   44    45   745.000  1.250
   44    51   465.000  1.376
   51    54   320.000  1.462
   54    55   570.000  1.229
   54    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   39    40   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  112.20000
   29    33    51    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    51    44    70.00000  124.00000
   33    51    54    65.00000  116.34900
   33    39    40    55.00000  108.50000
   37    41    42    70.00000  124.00000
   37    41    53    80.00000  120.01400
   41    37    38    35.00000  120.00000
   41    42    43    70.00000  112.99600
   41    42    44    70.00000  110.12100
   41    42    46    70.00000  112.02700
   41    53    50    90.00000  114.30300
   42    43    50    70.00000  120.00000
   42    43    69    70.00000  120.00000
   42    44    45    85.00000  112.85300
   42    44    51    65.00000  122.18000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   43    50    52    63.00000  120.00000
   43    50    53    70.00000  120.00000
   43    69    64    63.00000  120.00000
   43    69    74    70.00000  120.00000
   50    52    56    63.00000  120.00000
   50    52    58    60.00000  119.52600
   52    56    57    70.00000  120.00000
   52    56    64    63.00000  120.00000
   52    58    59    75.00000  123.78400
   52    58    65    65.00000  115.47100
   56    64    69    63.00000  120.00000
   56    64    70    70.00000  120.00000
   64    56    57    70.00000  120.00000
   64    69    74    70.00000  120.00000
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    73    35.00000  109.50000
   69    43    50    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    64    69    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   58    52    56    60.00000  119.52600
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   65    58    59    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   53    41    42    85.00000  112.85300
   53    50    52    70.00000  120.00000
   44    42    43    70.00000  112.99600
   44    51    54    60.00000  125.92000
   51    33    37    70.00000  110.12100
   51    44    45    65.00000  137.10300
   51    54    55    80.00000  123.72100
   51    54    60    65.00000  118.62400
   54    60    61    35.00000  109.50000
   54    60    62    35.00000  109.50000
   54    60    63    35.00000  109.50000
   60    54    55    80.00000  120.40000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   46    42    43    70.00000  112.17500
   46    42    44    70.00000  112.02700
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   39    33    37    90.00000  110.39200
   39    33    51    90.00000  110.39200
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    51    44   0.42700  1.0 1.0
   29    33    51    44  -0.70350 -1.0 2.0
   29    33    51    44  -0.43150  1.0 3.0
   29    33    51    54   0.09700  1.0 1.0
   29    33    51    54   0.15600 -1.0 2.0
   29    33    51    54  -0.50800  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    53   7.00000 -1.0 2.0
   33    51    54    55  -0.64400  1.0 1.0
   33    51    54    55   0.26850 -1.0 2.0
   33    51    54    60   0.25700  1.0 1.0
   33    51    54    60   0.66200 -1.0 2.0
   33    51    54    60   0.04450  1.0 3.0
   37    33    51    44  -0.28300  1.0 1.0
   37    33    51    44   0.26700 -1.0 2.0
   37    33    51    44  -0.63300  1.0 3.0
   37    33    51    54   0.09700  1.0 1.0
   37    33    51    54   0.15600 -1.0 2.0
   37    33    51    54  -0.50800  1.0 3.0
   37    33    39    40  -0.07800  1.0 1.0
   37    33    39    40  -0.21500 -1.0 2.0
   37    33    39    40  -0.03150  1.0 3.0
   37    41    42    43   1.44450  1.0 1.0
   37    41    42    43   0.06600 -1.0 2.0
   37    41    42    43   0.29250  1.0 3.0
   37    41   -42    44  -0.28300  1.0 1.0
   37    41   -42    44   0.26700 -1.0 2.0
   37    41   -42    44  -0.63300  1.0 3.0
   37    41    42    46   0.09850  1.0 1.0
   37    41    42    46   0.15250 -1.0 2.0
   37    41    42    46  -0.50650  1.0 3.0
   37    41    53    50   2.00000 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    53   7.00000 -1.0 2.0
   41    42   -43    50   0.18050 -1.0 2.0
   41    42    43    69   0.18050 -1.0 2.0
   41    42    44    45   0.09700  1.0 1.0
   41    42    44    45   0.15600 -1.0 2.0
   41    42    44    45  -0.50800  1.0 3.0
   41    42    44    51  -0.28300  1.0 1.0
   41    42    44    51   0.26700 -1.0 2.0
   41    42    44    51  -0.63300  1.0 3.0
   41    42    46    47   0.15000  1.0 3.0
   41    42    46    48   0.15000  1.0 3.0
   41    42    46    49   0.15000  1.0 3.0
   42    41   -53    50   2.00000 -1.0 2.0
   42    43    50    52   3.62500 -1.0 2.0
   42    43   -50    53   3.62500 -1.0 2.0
   42    43    69    64   3.62500 -1.0 2.0
   42    43    69    74   3.62500 -1.0 2.0
   42    44   -51    33   7.00000 -1.0 2.0
   42    44    51    54   7.00000 -1.0 2.0
   43    42    44    45   0.09700  1.0 1.0
   43    42    44    45   0.15600 -1.0 2.0
   43    42    44    45  -0.50800  1.0 3.0
   43    42    44    51   1.44450  1.0 1.0
   43    42    44    51   0.06600 -1.0 2.0
   43    42    44    51   0.29250  1.0 3.0
   43    42    46    47   0.43200  1.0 3.0
   43    42    46    48   0.43200  1.0 3.0
   43    42    46    49   0.43200  1.0 3.0
   43    50    52    56   3.62500 -1.0 2.0
   43    50    52    58   3.62500 -1.0 2.0
   43    50   -53    41   0.00000  1.0 1.0
   43    69    74    75   0.84100 -1.0 2.0
   50    43    69    64   3.62500 -1.0 2.0
   50    43    69    74   3.62500 -1.0 2.0
   50    52    56    57   3.62500 -1.0 2.0
   50    52   -56    64   3.62500 -1.0 2.0
   50    52    58    59   1.05000 -1.0 2.0
   50    52    58    65   2.26350  1.0 1.0
   50    52    58    65   0.76750 -1.0 2.0
   50    52    58    65   0.22500  1.0 3.0
   52    50    53    41   0.00000  1.0 1.0
   52    56    64    69   3.62500 -1.0 2.0
   52    56    64    70   3.62500 -1.0 2.0
   52    58    65    66   0.00000  1.0 1.0
   52    58    65    67   0.00000  1.0 1.0
   52    58    65    68   0.00000  1.0 1.0
   56    52    58    59   1.05000 -1.0 2.0
   56    52    58    65   2.26350  1.0 1.0
   56    52    58    65   0.76750 -1.0 2.0
   56    52    58    65   0.22500  1.0 3.0
   56    64   -69    43   3.62500 -1.0 2.0
   56    64    69    74   3.62500 -1.0 2.0
   56    64    70    71   0.00000  1.0 1.0
   56    64    70    72   0.00000  1.0 1.0
   56    64    70    73   0.00000  1.0 1.0
   57    56    64    69   3.62500 -1.0 2.0
   57    56    64    70   3.62500 -1.0 2.0
   64    69    74    75   0.84100 -1.0 2.0
   69    43   -50    52   3.62500 -1.0 2.0
   69    43    50    53   3.62500 -1.0 2.0
   69    64    70    71   0.00000  1.0 1.0
   69    64    70    72   0.00000  1.0 1.0
   69    64    70    73   0.00000  1.0 1.0
   70    64    69    43   3.62500 -1.0 2.0
   70    64    69    74   3.62500 -1.0 2.0
   58    52    56    57   3.62500 -1.0 2.0
   58    52    56    64   3.62500 -1.0 2.0
   59    58    65    66   0.00000  1.0 1.0
   59    58    65    67   0.00000  1.0 1.0
   59    58    65    68   0.00000  1.0 1.0
   53    41   -42    43   0.09700  1.0 1.0
   53    41   -42    43   0.15600 -1.0 2.0
   53    41   -42    43  -0.50800  1.0 3.0
   53    41    42    44   0.09700  1.0 1.0
   53    41    42    44   0.15600 -1.0 2.0
   53    41    42    44  -0.50800  1.0 3.0
   53    41    42    46   0.09700  1.0 1.0
   53    41    42    46   0.15600 -1.0 2.0
   53    41    42    46  -0.50800  1.0 3.0
   53    50    52    56   3.62500 -1.0 2.0
   53    50    52    58   3.62500 -1.0 2.0
   44    42    43    50   0.18050 -1.0 2.0
   44    42    43    69   0.18050 -1.0 2.0
   44    42    46    47   0.15000  1.0 3.0
   44    42    46    48   0.15000  1.0 3.0
   44    42    46    49   0.15000  1.0 3.0
   44    51    54    55   1.00000 -1.0 2.0
   44    51    54    60  -0.33500  1.0 1.0
   44    51    54    60   1.06600 -1.0 2.0
   44    51    54    60  -0.14000  1.0 3.0
   45    44    51    33   7.00000 -1.0 2.0
   45    44    51    54   7.00000 -1.0 2.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    41  -0.28300  1.0 1.0
   51    33   -37    41   0.26700 -1.0 2.0
   51    33   -37    41  -0.63300  1.0 3.0
   51    33    39    40  -0.07800  1.0 1.0
   51    33    39    40  -0.21500 -1.0 2.0
   51    33    39    40  -0.03150  1.0 3.0
   51    54    60    61   0.00000  1.0 1.0
   51    54    60    62   0.00000  1.0 1.0
   51    54    60    63   0.00000  1.0 1.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    62   0.00000  1.0 1.0
   55    54    60    63   0.00000  1.0 1.0
   46    42    43    50   0.04150 -1.0 2.0
   46    42    43    69   0.04150 -1.0 2.0
   46    42    44    45   0.09700  1.0 1.0
   46    42    44    45   0.15600 -1.0 2.0
   46    42    44    45  -0.50800  1.0 3.0
   46    42    44    51   0.09850  1.0 1.0
   46    42    44    51   0.15250 -1.0 2.0
   46    42    44    51  -0.50650  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    51    44   0.67800  1.0 1.0
   39    33    51    44   0.47050 -1.0 2.0
   39    33    51    44  -0.62500  1.0 3.0
   39    33    51    54   0.09700  1.0 1.0
   39    33    51    54   0.15600 -1.0 2.0
   39    33    51    54  -0.50800  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   42    53    41    37   1.10000 -1.0 2.0
   50    69    43    42   4.00000 -1.0 2.0
   52    53    50    43   4.00000 -1.0 2.0
   56    58    52    50   4.00000 -1.0 2.0
   64    57    56    52   4.00000 -1.0 2.0
   69    70    64    56   4.00000 -1.0 2.0
   64    74    69    43   4.00000 -1.0 2.0
   52    65    58    59  10.50000 -1.0 2.0
   42    45    44    51   1.10000 -1.0 2.0
   33    54    51    44   1.10000 -1.0 2.0
   51    60    54    55  10.50000 -1.0 2.0
END
