* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    155    240     452
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02131    34.02127  -174.95659
    3     1 S   H    _H1_     3     1.02067    95.50179   -59.38251
    4     1 S   H    _H2_     4     1.02051    84.40330    48.91112
    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     1.08547   109.95733   179.14202
   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   _C12    36     1.85388    97.10587  -158.13234
   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   CT   _C11    37     1.56143   108.08859   -40.01457
   38    37 S   HC   _H15    38     1.09514   109.26781   170.74662
   39    37 S   HC   _H16    39     1.10082   107.66963    58.80374
   40    33 S   CT   _C13    59     1.55903   108.06245  -164.36043
   41    40 S   HC   _H5_    60     1.09128   107.98349    54.73363
   42    33 S   CT   _C19    78     1.54057   106.01644    76.05911
   43    42 S   HC   _H20    79     1.08384   109.12759    64.13697
   44    42 S   HC   _H21    80     1.08375   109.09922   -55.83171
   45    42 S   HC   _H22    81     1.08365   109.15089  -175.85305
   46    37 S   CT   _C10    40     1.54007   119.82899   -62.37005
   47    46 S   HC   _H13    41     1.09543   110.36529    57.28284
   48    46 S   HC   _H14    42     1.09773   107.31221   171.44037
   49    40 S   OH   _O38    61     1.43272   110.41577   -60.09261
   50    49 S   HO   _H19    62     0.96766   106.28830   173.50049
   51    46 S   C3T  _C9_    43     1.49760   115.68551   -66.53309
   52    51 S   HC   _H4_    44     1.08113   113.29438    95.70167
   53    51 S   C3T  _C8_    45     1.51233   122.77309   -61.86748
   54    53 S   CT   _C7_    46     1.49928   121.05853   159.02784
   55    54 S   HC   _H11    47     1.09754   107.76825   138.85901
   56    54 S   HC   _H12    48     1.09827   110.00789    23.07573
   57    51 S   O3T  _O35    73     1.43699   114.29054  -128.40780
   58    53 S   CT   _C20    74     1.49639   121.49541    -6.28818
   59    58 S   HC   _H23    75     1.09970   111.34180   -13.94584
   60    58 S   HC   _H24    76     1.09989   111.31824  -133.95058
   61    58 S   HC   _H25    77     1.09987   111.35962   106.04119
   62    54 S   CT   _C6_    49     1.54092   114.94771  -100.01025
   63    62 S   HC   _H3_    50     1.09079   106.49843  -176.88366
   64    62 S   CT   _C15    51     1.54877   114.37882    63.21356
   65    64 S   HC   _H7_    52     1.09681   108.21402    46.68962
   66    62 S   OS   _O34    66     1.42709   109.88823   -62.15038
   67    64 S   CM   _C16    53     1.49204   112.48386   167.74129
   68    66 S   CO4  _C5_    67     1.36647   115.62539   -84.80761
   69    68 S   O    _O33    68     1.22414   126.17590    -0.04846
   70    67 S   CO4  _C18    54     1.47110   110.48626   110.53101
   71    70 S   O    _O36    55     1.21732   127.04190  -174.11850
   72    67 S   CM   _C17    63     1.33597   127.85456   -71.64682
   73    72 S   HC   _H17    64     1.08319   120.68681     2.34402
   74    72 S   HC   _H18    65     1.08347   120.68808  -177.71381
   75    68 S   CT   _C4_    69     1.49812   109.75001   179.97202
   76    75 S   HC   _H8_    70     1.09318   109.82929   -89.95255
   77    75 S   HC   _H9_    71     1.09281   109.86830   148.11270
   78    75 S   HC   _H10    72     1.09427   109.35060    29.08740
   79    70 S   OS   _O37    56     1.35957   107.20177     5.62894
   80    64 S   CT   _C14    57     1.53593   114.04151   -77.93765
   81    80 S   HC   _H6_    58     1.08535   110.02259     6.13031
  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  13   5   4   3
  19   2   1   1  17   7   6  16   7   6   2   1   1   8   5   4
   5   1  11   4  12  15   7   6   5   4   2   1   1  13   6  12
   7   8   8   5   4   7   3   4   1   1   3   2   1   1   2   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    80    40    41    49    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    51    64    79    80    81    40    41    49    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    51    52    53    80    40    41    49    57    42    43    44    45  
   39    46    47    48    51    40    42  
   46    47    48    51    40    42  
   41    49    50    42    43    44    45    46    62    64    65    67    70    79    80    81  
   49    50    42    64    79    80    81  
   43    44    45    46    49    80  
   44    45  
   45  
    0  
   47    48    51    52    53    54    57    58  
   48    51    52    53    57  
   51    52    53    57  
   50    64    79    80    81  
   80  
   52    53    54    55    56    62    57    58    59    60    61  
   53    54    57    58  
   54    55    56    62    63    64    66    57    58    59    60    61  
   55    56    62    63    64    65    67    80    66    68    57    58    59    60    61  
   56    62    63    64    66    57    58  
   62    63    64    66    57    58  
   58    59    60    61    62  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    67    70    79    80    81    72    66    68    69    75  
   64    65    67    80    66    68  
   65    67    70    71    79    80    81    72    73    74    66    68  
   67    70    79    80    81    72    66  
   68    69    75    76    77    78    67    80  
   70    71    79    80    81    72    73    74  
   69    75    76    77    78  
   75    76    77    78  
   71    79    80    81    72    73    74  
   79    80    72  
   73    74    79    80  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    81  
   81  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   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    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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   275.000  1.510
   51    52   340.000  1.088
   51    53   260.000  1.509
   51    57   335.000  1.432
   53    54   275.000  1.510
   53    57   335.000  1.432
   53    58   275.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   320.000  1.410
   64    65   340.000  1.090
   64    67   317.000  1.510
   64    80   268.000  1.529
   67    70   320.000  1.462
   67    72   549.000  1.340
   70    71   570.000  1.229
   70    79   214.000  1.327
   79    80   320.000  1.410
   80    81   340.000  1.090
   80    40   268.000  1.529
   40    41   340.000  1.090
   40    49   320.000  1.410
   49    50   553.000  0.945
   72    73   340.000  1.080
   72    74   340.000  1.080
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    80    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    49    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    70.00000  112.37300
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    51    52    40.00000  115.04500
   46    51    53    60.00000  120.94000
   46    51    57    80.00000  116.47100
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  109.38400
   51    46    48    45.00000  109.38400
   51    53    54    60.00000  120.94000
   51    53    57    15.00000   60.43100
   51    53    58    60.00000  120.94000
   51    57    53    15.00000   59.14900
   53    51    52    37.50000  117.20000
   53    54    55    45.00000  109.38400
   53    54    56    45.00000  109.38400
   53    54    62    70.00000  112.37300
   53    58    59    45.00000  109.38400
   53    58    60    45.00000  109.38400
   53    58    61    45.00000  109.38400
   54    62    63    37.50000  110.70000
   54    62    64    58.35000  112.70000
   54    62    66    50.00000  109.50000
   56    54    55    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    67    70.00000  112.02700
   62    64    80    58.35000  112.70000
   62    66    68    83.00000  116.90000
   64    62    63    37.50000  110.70000
   64    67    70    65.00000  116.34900
   64    67    72    70.00000  124.00000
   64    80    79    50.00000  109.50000
   64    80    81    37.50000  110.70000
   64    80    40    58.35000  112.70000
   67    64    65    35.00000  109.50000
   67    70    71    80.00000  123.72100
   67    70    79    90.00000  111.29400
   67    72    73    35.00000  120.00000
   67    72    74    35.00000  120.00000
   70    79    80    83.00000  116.90000
   79    70    71    83.00000  123.40000
   79    80    81    35.00000  109.50000
   79    80    40    50.00000  109.50000
   80    64    65    37.50000  110.70000
   80    64    67    70.00000  112.02700
   80    40    41    37.50000  110.70000
   80    40    49    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    80    81    37.50000  110.70000
   40    49    50    55.00000  108.50000
   49    40    41    35.00000  109.50000
   72    67    70    65.00000  118.96000
   74    72    73    35.00000  117.00000
   66    62    63    35.00000  109.50000
   66    62    64    50.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    75    81.00000  111.40000
   68    75    76    35.00000  109.50000
   68    75    77    35.00000  109.50000
   68    75    78    35.00000  109.50000
   75    68    69    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   57    51    52    50.00000  114.27700
   57    51    53    15.00000   60.43100
   57    53    54    80.00000  116.47100
   58    53    54    58.35000  112.70000
   58    53    57    80.00000  116.47100
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    80   0.44750  1.0 1.0
   29    33    40    80  -0.17800 -1.0 2.0
   29    33    40    80   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    49   0.56750  1.0 1.0
   29    33    40    49  -0.07550 -1.0 2.0
   29    33    40    49   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    51   0.47050  1.0 1.0
   33    37    46    51   0.03900 -1.0 2.0
   33    37    46    51   0.20100  1.0 3.0
   33    40    49    50  -0.11600  1.0 1.0
   33    40    49    50  -0.09450 -1.0 2.0
   33    40    49    50   0.21250  1.0 3.0
   37    33    40    80   0.56750  1.0 1.0
   37    33    40    80  -0.07550 -1.0 2.0
   37    33    40    80   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    49   0.86500  1.0 1.0
   37    33    40    49  -0.17500 -1.0 2.0
   37    33    40    49   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    51    52   0.15000  1.0 3.0
   37    46    51    53   0.07850  1.0 1.0
   37    46    51    53  -0.03950 -1.0 2.0
   37    46    51    53   0.67350  1.0 3.0
   37    46    51    57   0.02550  1.0 1.0
   37    46    51    57  -0.02600 -1.0 2.0
   37    46    51    57   1.20400  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    51   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    51   0.15000  1.0 3.0
   46    51    53    54   0.56750  1.0 1.0
   46    51    53    54  -0.07550 -1.0 2.0
   46    51    53    54   0.20000  1.0 3.0
   46    51   -53    57   0.02550  1.0 1.0
   46    51   -53    57  -0.02600 -1.0 2.0
   46    51   -53    57   1.20400  1.0 3.0
   46    51    53    58   0.56750  1.0 1.0
   46    51    53    58  -0.07550 -1.0 2.0
   46    51    53    58   0.20000  1.0 3.0
   46    51   -57    53   0.06250  1.0 1.0
   46    51   -57    53  -0.01100 -1.0 2.0
   46    51   -57    53   0.28050  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    57   0.23400  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    57   0.23400  1.0 3.0
   51    53    54    55   0.15000  1.0 3.0
   51    53    54    56   0.15000  1.0 3.0
   51    53    54    62   0.07850  1.0 1.0
   51    53    54    62  -0.03950 -1.0 2.0
   51    53    54    62   0.67350  1.0 3.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    60   0.15000  1.0 3.0
   51    53    58    61   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51   -53    57   0.23400  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51   -57    53   0.36800  1.0 3.0
   53    54    62    63   0.15000  1.0 3.0
   53    54    62    64   0.47050  1.0 1.0
   53    54    62    64   0.03900 -1.0 2.0
   53    54    62    64   0.20100  1.0 3.0
   53    54    62    66  -0.26800  1.0 1.0
   53    54    62    66   0.69150 -1.0 2.0
   53    54    62    66  -0.48750  1.0 3.0
   54    53   -57    51   0.06250  1.0 1.0
   54    53   -57    51  -0.01100 -1.0 2.0
   54    53   -57    51   0.28050  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   54    62    64    65   0.15000  1.0 3.0
   54    62    64    67   0.34400  1.0 1.0
   54    62    64    67   0.09450 -1.0 2.0
   54    62    64    67   0.11100  1.0 3.0
   54    62    64    80   0.56750  1.0 1.0
   54    62    64    80  -0.07550 -1.0 2.0
   54    62    64    80   0.20000  1.0 3.0
   54    62    66    68  -0.25900  1.0 1.0
   54    62    66    68  -0.47000 -1.0 2.0
   54    62    66    68   0.11750  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    66   0.23400  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    64   0.15000  1.0 3.0
   56    54    62    66   0.23400  1.0 3.0
   62    64    67    70   0.09700  1.0 1.0
   62    64    67    70   0.15600 -1.0 2.0
   62    64    67    70  -0.50800  1.0 3.0
   62    64    67    72   0.09850  1.0 1.0
   62    64    67    72   0.15250 -1.0 2.0
   62    64    67    72  -0.50650  1.0 3.0
   62    64    80    79   0.62750  1.0 1.0
   62    64    80    79  -0.30950 -1.0 2.0
   62    64    80    79   0.27300  1.0 3.0
   62    64    80    81   0.15000  1.0 3.0
   62    64    80    40   0.56750  1.0 1.0
   62    64    80    40  -0.07550 -1.0 2.0
   62    64    80    40   0.20000  1.0 3.0
   62    66    68    69   3.00000 -1.0 2.0
   62    66    68    75   1.63150  1.0 1.0
   62    66    68    75   2.92000 -1.0 2.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    64    80   0.15000  1.0 3.0
   63    62    66    68   0.08050  1.0 3.0
   64    62    66    68  -0.25900  1.0 1.0
   64    62    66    68  -0.47000 -1.0 2.0
   64    62    66    68   0.11750  1.0 3.0
   64    67    70    71  -0.64400  1.0 1.0
   64    67    70    71   0.26850 -1.0 2.0
   64    67   -70    79  -0.15000  1.0 1.0
   64    67   -70    79   0.89550 -1.0 2.0
   64    67   -70    79  -0.06900  1.0 3.0
   64    67    72    73   7.00000 -1.0 2.0
   64    67    72    74   7.00000 -1.0 2.0
   64    80    40    33   0.56750  1.0 1.0
   64    80    40    33  -0.07550 -1.0 2.0
   64    80    40    33   0.20000  1.0 3.0
   64    80    40    41   0.15000  1.0 3.0
   64    80    40    49   0.86500  1.0 1.0
   64    80    40    49  -0.17500 -1.0 2.0
   64    80    40    49   0.20800  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    67    72   0.00000  1.0 1.0
   65    64    80    79   0.23400  1.0 3.0
   65    64    80    81   0.15000  1.0 3.0
   65    64    80    40   0.15000  1.0 3.0
   67    64   -80    79   0.61850  1.0 1.0
   67    64   -80    79  -0.22750 -1.0 2.0
   67    64   -80    79   0.15300  1.0 3.0
   67    64    80    81   0.15000  1.0 3.0
   67    64    80    40   0.34400  1.0 1.0
   67    64    80    40   0.09450 -1.0 2.0
   67    64    80    40   0.11100  1.0 3.0
   67    70   -79    80   2.00000 -1.0 2.0
   70    67    72    73   7.00000 -1.0 2.0
   70    67    72    74   7.00000 -1.0 2.0
   70    79   -80    64  -0.25900  1.0 1.0
   70    79   -80    64  -0.47000 -1.0 2.0
   70    79   -80    64   0.11750  1.0 3.0
   70    79    80    81   0.08050  1.0 3.0
   70    79    80    40  -0.25900  1.0 1.0
   70    79    80    40  -0.47000 -1.0 2.0
   70    79    80    40   0.11750  1.0 3.0
   71    70    79    80   3.00000 -1.0 2.0
   79    80    40    33   0.62750  1.0 1.0
   79    80    40    33  -0.30950 -1.0 2.0
   79    80    40    33   0.27300  1.0 3.0
   79    80    40    41   0.23400  1.0 3.0
   79    80    40    49   3.69350  1.0 1.0
   79    80    40    49  -1.82950 -1.0 2.0
   80    64   -67    70   0.09700  1.0 1.0
   80    64   -67    70   0.15600 -1.0 2.0
   80    64   -67    70  -0.50800  1.0 3.0
   80    64    67    72   0.09850  1.0 1.0
   80    64    67    72   0.15250 -1.0 2.0
   80    64    67    72  -0.50650  1.0 3.0
   80    40    49    50  -0.11600  1.0 1.0
   80    40    49    50  -0.09450 -1.0 2.0
   80    40    49    50   0.21250  1.0 3.0
   81    80    40    33   0.15000  1.0 3.0
   81    80    40    41   0.15000  1.0 3.0
   81    80    40    49   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    49    50   0.19450  1.0 3.0
   72    67    70    71   1.00000 -1.0 2.0
   72    67    70    79  -0.56150  1.0 1.0
   72    67    70    79   2.19150 -1.0 2.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    67   0.61850  1.0 1.0
   66    62    64    67  -0.22750 -1.0 2.0
   66    62    64    67   0.15300  1.0 3.0
   66    62    64    80   0.62750  1.0 1.0
   66    62    64    80  -0.30950 -1.0 2.0
   66    62    64    80   0.27300  1.0 3.0
   66    68    75    76   0.00000  1.0 1.0
   66    68    75    77   0.00000  1.0 1.0
   66    68    75    78   0.00000  1.0 1.0
   69    68    75    76   0.00000  1.0 1.0
   69    68    75    77   0.00000  1.0 1.0
   69    68    75    78   0.00000  1.0 1.0
   57    51   -53    54   0.02550  1.0 1.0
   57    51   -53    54  -0.02600 -1.0 2.0
   57    51   -53    54   1.20400  1.0 3.0
   57    51   -53    58   0.02550  1.0 1.0
   57    51   -53    58  -0.02600 -1.0 2.0
   57    51   -53    58   1.20400  1.0 3.0
   57    53    54    55   0.23400  1.0 3.0
   57    53    54    56   0.23400  1.0 3.0
   57    53    54    62   0.02550  1.0 1.0
   57    53    54    62  -0.02600 -1.0 2.0
   57    53    54    62   1.20400  1.0 3.0
   57    53    58    59   0.23400  1.0 3.0
   57    53    58    60   0.23400  1.0 3.0
   57    53    58    61   0.23400  1.0 3.0
   58    53    54    55   0.15000  1.0 3.0
   58    53    54    56   0.15000  1.0 3.0
   58    53    54    62   0.56750  1.0 1.0
   58    53    54    62  -0.07550 -1.0 2.0
   58    53    54    62   0.20000  1.0 3.0
   58    53   -57    51   0.06250  1.0 1.0
   58    53   -57    51  -0.01100 -1.0 2.0
   58    53   -57    51   0.28050  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    80   0.56750  1.0 1.0
   42    33    40    80  -0.07550 -1.0 2.0
   42    33    40    80   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    49   0.86500  1.0 1.0
   42    33    40    49  -0.17500 -1.0 2.0
   42    33    40    49   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   64    70    67    72   1.10000 -1.0 2.0
   67    79    70    71  10.50000 -1.0 2.0
   73    74    72    67   1.10000 -1.0 2.0
   66    75    68    69  10.50000 -1.0 2.0
END
