* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    146    235     445
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02093   106.59300   -16.44462
    3     1 S   H    _H1_     3     1.02066    57.29532    85.43798
    4     1 S   H    _H2_     4     1.02082    54.78670  -117.89170
    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     1.08612   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   _C14    36     1.84892    97.28869   161.85792
   34    33 S   HC   _H8_    37     1.09969   103.89323    33.71412
   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   CT   _C13    38     1.54496   109.28659   -79.97669
   39    38 S   HC   _H16    39     1.10215   107.40116    43.22219
   40    33 S   CT   _C5_    55     1.55765   108.86931   147.80980
   41    40 S   HC   _H3_    56     1.09863   109.46821    36.38253
   42    38 S   CT   _C12    40     1.54017   118.99246   -78.93014
   43    42 S   HC   _H7_    41     1.09866   108.19113  -162.28016
   44    40 S   CT   _C4_    57     1.54756   108.53002   -78.99791
   45    44 S   HC   _H9_    58     1.08207   108.79979   -62.41241
   46    44 S   HC   _H10    59     1.08152   108.76654   177.55351
   47    44 S   HC   _H11    60     1.08186   108.75756    57.58901
   48    38 S   CO4  _C15    74     1.51042   110.10077   152.61376
   49    48 S   O    _O33    75     1.22731   123.42525   -23.44338
   50    48 S   HC   _H17    76     1.10239   115.63604   156.62126
   51    42 S   CT   _C11    42     1.53383   117.71893   -39.78803
   52    51 S   HC   _H6_    43     1.10306   110.79953    81.71137
   53    42 S   CO4  _C16    71     1.50573   109.47394    85.90884
   54    53 S   O    _O34    72     1.22703   123.46147  -124.93260
   55    53 S   HC   _H18    73     1.10352   115.60235    55.02130
   56    51 S   CT   _C10    44     1.53409   113.77812   -43.17280
   57    56 S   HC   _H5_    45     1.09933   107.65421   -49.28392
   58    51 S   OH   _O35    69     1.43682   107.17610  -163.46528
   59    58 S   HO   _H19    70     0.96626   105.88087    59.97207
   60    56 S   CT   _C9_    46     1.54314   112.21049  -165.29452
   61    60 S   HC   _H14    47     1.09824   109.98928   -36.73278
   62    60 S   HC   _H15    48     1.09564   111.77585    82.77232
   63    60 S   CT   _C8_    49     1.53030   105.12647  -155.09808
   64    63 S   CT   _C7_    50     1.53116   100.73310    40.99623
   65    64 S   HC   _H12    51     1.09566   112.14848  -162.34387
   66    64 S   HC   _H13    52     1.09825   109.50595    78.18549
   67    63 S   CT   _C17    61     1.53104   111.45510   159.49217
   68    67 S   HC   _H20    62     1.08742   109.65534    68.27011
   69    67 S   HC   _H21    63     1.08732   109.64339   -51.76706
   70    67 S   HC   _H22    64     1.08877   109.61169  -171.73029
   71    63 S   CT   _C18    65     1.53622   112.01953   -77.94657
   72    71 S   HC   _H23    66     1.08586   109.33069   -67.82272
   73    71 S   HC   _H24    67     1.08582   109.36572   172.20311
   74    71 S   HC   _H25    68     1.08510   109.38618    52.19087
   75    56 S   CT   _C6_    53     1.55677   116.83785    72.52021
   76    75 S   HC   _H4_    54     1.09836   107.94961  -119.65642
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   8   2   1   1  17   8  17   8  15   8   7   3   2   1   4
   1   1  15   7   4   1   1  14   8   3   1  16   6   5  13  12
   5   4   8   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    75    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    51    56    64    75    76    40    41    44    45    46    47    53    48    49    50  
   38    39    42    75    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    51    52    56    75    40    41    44    58    53    54    55    48    49    50  
   42    43    51    40    53    48    49    50  
   41    44    45    46    47    48    42    51    56    57    60    63    64    65    66    75    76  
   44    45    46    47    56    64    75    76  
   43    51    52    56    57    60    75    58    59    53    54    55    48    49    50  
   51    52    56    58    53    54    55    48  
   45    46    47    56    64    75    76  
   46    47    75  
   47    75  
   75  
   49    50    51    53  
   50  
    0  
   52    56    57    60    61    62    63    64    75    76    58    59    53    54    55  
   56    57    60    75    58    59    53  
   54    55    56    58  
   55  
    0  
   57    60    61    62    63    64    65    66    75    76    67    71    58    59  
   60    61    62    63    64    75    76    58  
   59    60    75  
    0  
   61    62    63    64    65    66    75    76    67    68    69    70    71    72    73    74  
   62    63    64    75    67    71  
   63    64    75    67    71  
   64    65    66    75    76    67    68    69    70    71    72    73    74  
   65    66    75    76    67    68    69    70    71    72    73    74  
   66    75    76    67    71  
   75    76    67    71  
   68    69    70    71    72    73    74    75  
   69    70    71  
   70    71  
   71  
   72    73    74    75  
   73    74  
   74  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    48   317.000  1.522
   42    43   340.000  1.090
   42    51   268.000  1.529
   42    53   317.000  1.522
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    58   320.000  1.410
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    75   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    67   268.000  1.529
   63    71   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    75   268.000  1.529
   75    76   340.000  1.090
   75    40   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   553.000  0.945
   53    54   570.000  1.229
   53    55   340.000  1.090
   48    49   570.000  1.229
   48    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    48    63.00000  111.10000
   33    40    75    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    51    58.35000  112.70000
   38    42    53    63.00000  111.10000
   38    48    49    80.00000  120.40000
   38    48    50    35.00000  115.00000
   42    38    39    37.50000  110.70000
   42    51    52    37.50000  110.70000
   42    51    56    58.35000  112.70000
   42    51    58    50.00000  109.50000
   42    53    54    80.00000  120.40000
   42    53    55    35.00000  115.00000
   51    42    43    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    60    58.35000  112.70000
   51    56    75    58.35000  112.70000
   51    58    59    55.00000  108.50000
   56    51    52    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    58.35000  112.70000
   56    75    64    58.35000  112.70000
   56    75    76    37.50000  110.70000
   56    75    40    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    67    58.35000  112.70000
   60    63    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    66    37.50000  110.70000
   63    64    75    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    74    37.50000  110.70000
   64    75    76    37.50000  110.70000
   64    75    40    58.35000  112.70000
   66    64    65    33.00000  107.80000
   75    56    57    37.50000  110.70000
   75    56    60    58.35000  112.70000
   75    64    65    37.50000  110.70000
   75    64    66    37.50000  110.70000
   75    40    41    37.50000  110.70000
   75    40    44    58.35000  112.70000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    75    76    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   67    63    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    63    64    58.35000  112.70000
   71    63    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    56    50.00000  109.50000
   53    42    43    35.00000  109.50000
   53    42    51    63.00000  111.10000
   55    53    54    35.00000  123.00000
   48    38    39    35.00000  109.50000
   48    38    42    63.00000  111.10000
   50    48    49    35.00000  123.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    75   0.44750  1.0 1.0
   29    33    40    75  -0.17800 -1.0 2.0
   29    33    40    75   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    51   0.56750  1.0 1.0
   33    38    42    51  -0.07550 -1.0 2.0
   33    38    42    51   0.20000  1.0 3.0
   33    38    42    53  -0.95700  1.0 1.0
   33    38    42    53  -0.18200 -1.0 2.0
   33    38    42    53   0.29450  1.0 3.0
   33    38    48    49   0.30150 -1.0 2.0
   33    38    48    50   0.74550  1.0 1.0
   33    38    48    50  -0.00500 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    48  -0.11250  1.0 3.0
   34    33    40    75   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    75   0.56750  1.0 1.0
   38    33    40    75  -0.07550 -1.0 2.0
   38    33    40    75   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42    51    52   0.15000  1.0 3.0
   38    42    51    56   0.56750  1.0 1.0
   38    42    51    56  -0.07550 -1.0 2.0
   38    42    51    56   0.20000  1.0 3.0
   38    42    51    58   0.86500  1.0 1.0
   38    42    51    58  -0.17500 -1.0 2.0
   38    42    51    58   0.20800  1.0 3.0
   38    42    53    54   0.30150 -1.0 2.0
   38    42    53    55   0.74550  1.0 1.0
   38    42    53    55  -0.00500 -1.0 2.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   39    38    42    53  -0.11250  1.0 3.0
   39    38    48    49   0.00000  1.0 1.0
   39    38    48    50   0.00000  1.0 1.0
   42    38    48    49   0.30150 -1.0 2.0
   42    38    48    50   0.74550  1.0 1.0
   42    38    48    50  -0.00500 -1.0 2.0
   42    51    56    57   0.15000  1.0 3.0
   42    51    56    60   0.56750  1.0 1.0
   42    51    56    60  -0.07550 -1.0 2.0
   42    51    56    60   0.20000  1.0 3.0
   42    51    56    75   0.56750  1.0 1.0
   42    51    56    75  -0.07550 -1.0 2.0
   42    51    56    75   0.20000  1.0 3.0
   42    51    58    59  -0.11600  1.0 1.0
   42    51    58    59  -0.09450 -1.0 2.0
   42    51    58    59   0.21250  1.0 3.0
   43    42    51    52   0.15000  1.0 3.0
   43    42    51    56   0.15000  1.0 3.0
   43    42    51    58   0.23400  1.0 3.0
   43    42    53    54   0.00000  1.0 1.0
   43    42    53    55   0.00000  1.0 1.0
   51    42    53    54   0.30150 -1.0 2.0
   51    42    53    55   0.74550  1.0 1.0
   51    42    53    55  -0.00500 -1.0 2.0
   51    56    60    61   0.15000  1.0 3.0
   51    56    60    62   0.15000  1.0 3.0
   51    56    60    63   0.56750  1.0 1.0
   51    56    60    63  -0.07550 -1.0 2.0
   51    56    60    63   0.20000  1.0 3.0
   51    56    75    64   0.56750  1.0 1.0
   51    56    75    64  -0.07550 -1.0 2.0
   51    56    75    64   0.20000  1.0 3.0
   51    56    75    76   0.15000  1.0 3.0
   51    56    75    40   0.56750  1.0 1.0
   51    56    75    40  -0.07550 -1.0 2.0
   51    56    75    40   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    60   0.15000  1.0 3.0
   52    51    56    75   0.15000  1.0 3.0
   52    51    58    59   0.19450  1.0 3.0
   56    51    58    59  -0.11600  1.0 1.0
   56    51    58    59  -0.09450 -1.0 2.0
   56    51    58    59   0.21250  1.0 3.0
   56    60   -63    64   0.56750  1.0 1.0
   56    60   -63    64  -0.07550 -1.0 2.0
   56    60   -63    64   0.20000  1.0 3.0
   56    60    63    67   0.56750  1.0 1.0
   56    60    63    67  -0.07550 -1.0 2.0
   56    60    63    67   0.20000  1.0 3.0
   56    60    63    71   0.56750  1.0 1.0
   56    60    63    71  -0.07550 -1.0 2.0
   56    60    63    71   0.20000  1.0 3.0
   56    75    40    33   0.56750  1.0 1.0
   56    75    40    33  -0.07550 -1.0 2.0
   56    75    40    33   0.20000  1.0 3.0
   56    75    40    41   0.15000  1.0 3.0
   56    75    40    44   0.56750  1.0 1.0
   56    75    40    44  -0.07550 -1.0 2.0
   56    75    40    44   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   57    56    75    64   0.15000  1.0 3.0
   57    56    75    76   0.15000  1.0 3.0
   57    56    75    40   0.15000  1.0 3.0
   60    56   -75    64   0.56750  1.0 1.0
   60    56   -75    64  -0.07550 -1.0 2.0
   60    56   -75    64   0.20000  1.0 3.0
   60    56    75    76   0.15000  1.0 3.0
   60    56    75    40   0.56750  1.0 1.0
   60    56    75    40  -0.07550 -1.0 2.0
   60    56    75    40   0.20000  1.0 3.0
   60    63    64    65   0.15000  1.0 3.0
   60    63    64    66   0.15000  1.0 3.0
   60    63   -64    75   0.56750  1.0 1.0
   60    63   -64    75  -0.07550 -1.0 2.0
   60    63   -64    75   0.20000  1.0 3.0
   60    63    67    68   0.15000  1.0 3.0
   60    63    67    69   0.15000  1.0 3.0
   60    63    67    70   0.15000  1.0 3.0
   60    63    71    72   0.15000  1.0 3.0
   60    63    71    73   0.15000  1.0 3.0
   60    63    71    74   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    67   0.15000  1.0 3.0
   61    60    63    71   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    67   0.15000  1.0 3.0
   62    60    63    71   0.15000  1.0 3.0
   63    64   -75    56   0.56750  1.0 1.0
   63    64   -75    56  -0.07550 -1.0 2.0
   63    64   -75    56   0.20000  1.0 3.0
   63    64    75    76   0.15000  1.0 3.0
   63    64    75    40   0.56750  1.0 1.0
   63    64    75    40  -0.07550 -1.0 2.0
   63    64    75    40   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    74   0.15000  1.0 3.0
   64    75    40    33   0.56750  1.0 1.0
   64    75    40    33  -0.07550 -1.0 2.0
   64    75    40    33   0.20000  1.0 3.0
   64    75    40    41   0.15000  1.0 3.0
   64    75    40    44   0.56750  1.0 1.0
   64    75    40    44  -0.07550 -1.0 2.0
   64    75    40    44   0.20000  1.0 3.0
   65    64    75    56   0.15000  1.0 3.0
   65    64    75    76   0.15000  1.0 3.0
   65    64    75    40   0.15000  1.0 3.0
   66    64    75    56   0.15000  1.0 3.0
   66    64    75    76   0.15000  1.0 3.0
   66    64    75    40   0.15000  1.0 3.0
   75    56    60    61   0.15000  1.0 3.0
   75    56    60    62   0.15000  1.0 3.0
   75    56   -60    63   0.56750  1.0 1.0
   75    56   -60    63  -0.07550 -1.0 2.0
   75    56   -60    63   0.20000  1.0 3.0
   75    40    44    45   0.15000  1.0 3.0
   75    40    44    46   0.15000  1.0 3.0
   75    40    44    47   0.15000  1.0 3.0
   76    75    40    33   0.15000  1.0 3.0
   76    75    40    41   0.15000  1.0 3.0
   76    75    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    48  -0.95700  1.0 1.0
   40    33    38    48  -0.18200 -1.0 2.0
   40    33    38    48   0.29450  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   67    63    64    65   0.15000  1.0 3.0
   67    63    64    66   0.15000  1.0 3.0
   67    63    64    75   0.56750  1.0 1.0
   67    63    64    75  -0.07550 -1.0 2.0
   67    63    64    75   0.20000  1.0 3.0
   67    63    71    72   0.15000  1.0 3.0
   67    63    71    73   0.15000  1.0 3.0
   67    63    71    74   0.15000  1.0 3.0
   71    63    64    65   0.15000  1.0 3.0
   71    63    64    66   0.15000  1.0 3.0
   71    63    64    75   0.56750  1.0 1.0
   71    63    64    75  -0.07550 -1.0 2.0
   71    63    64    75   0.20000  1.0 3.0
   71    63    67    68   0.15000  1.0 3.0
   71    63    67    69   0.15000  1.0 3.0
   71    63    67    70   0.15000  1.0 3.0
   58    51    56    57   0.23400  1.0 3.0
   58    51    56    60   0.86500  1.0 1.0
   58    51    56    60  -0.17500 -1.0 2.0
   58    51    56    60   0.20800  1.0 3.0
   58    51    56    75   0.86500  1.0 1.0
   58    51    56    75  -0.17500 -1.0 2.0
   58    51    56    75   0.20800  1.0 3.0
   53    42    51    52  -0.11250  1.0 3.0
   53    42    51    56  -0.95700  1.0 1.0
   53    42    51    56  -0.18200 -1.0 2.0
   53    42    51    56   0.29450  1.0 3.0
   53    42    51    58  -0.09450  1.0 1.0
   53    42    51    58  -1.12950 -1.0 2.0
   53    42    51    58   0.54000  1.0 3.0
   48    38    42    43  -0.11250  1.0 3.0
   48    38    42    51  -0.95700  1.0 1.0
   48    38    42    51  -0.18200 -1.0 2.0
   48    38    42    51   0.29450  1.0 3.0
   48    38    42    53   0.11950  1.0 1.0
   48    38    42    53   0.20300 -1.0 2.0
   48    38    42    53  -0.70800  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
   42    55    53    54  10.50000 -1.0 2.0
   38    50    48    49  10.50000 -1.0 2.0
END
