* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    164    248     484
    1     0 S   NP   _N1_     1    29.20523    90.36485   -21.45306
    2     1 S   H    _HN1     2     1.02821    12.09445   116.98501
    3     1 S   H    _H1_     3     1.03094    96.18049   -76.38018
    4     1 S   H    _H2_     4     1.03223   108.85503    32.97052
    5     1 S   CT   _CA1     5     1.50281   119.61841   163.23668
    6     5 S   HC   _HA1     6     1.09691   104.62888    52.38558
    7     5 S   CO3  _C1_     7     1.54325   110.94728   -63.47317
    8     7 S   O2Z  _O11     8     1.26040   116.67435  -115.10392
    9     7 S   O2Z  _O12     9     1.26583   113.85454    63.93875
   10     5 S   CT   _CB1    10     1.53091   107.04230   168.05636
   11    10 S   HC   HB11    11     1.09820   109.39901   -45.42259
   12    10 S   HC   HB12    12     1.09815   110.27892    71.00051
   13    10 S   CT   _CG1    13     1.53281   112.88699  -166.20553
   14    13 S   HC   HG11    14     1.09460   110.72871   -59.49747
   15    13 S   HC   HG12    15     1.09610   110.23330    59.66219
   16    13 S   C    _CD1    16     1.51788   111.42249   179.06101
   17    16 S   O    _OE1    17     1.22749   122.76194   -23.08545
   18    16 S   N    _N2_    18     1.38534   112.70855   158.02329
   19    18 S   H    _HN2    19     1.01563   119.41275     1.88803
   20    18 S   CT1  _CA2    20     1.46251   122.66962  -176.31549
   21    20 S   HC   _HA2    21     1.09622   109.09191   -12.20127
   22    20 S   C    _C2_    22     1.53289   108.86150  -127.65443
   23    22 S   O    _O2_    23     1.23022   122.16877  -146.58329
   24    20 S   CT   _CB2    32     1.53549   111.76241   109.63031
   25    24 S   HC   HB21    33     1.09652   109.47616    63.36849
   26    24 S   HC   HB22    34     1.09549   111.17939  -179.10125
   27    22 S   N    _N3_    24     1.38488   113.39881    40.98375
   28    27 S   H    _HN3    25     1.01528   118.93948    -0.62244
   29    24 S   S    _SG2    35     1.82720   113.79906   -55.68212
   30    27 S   CT   _CA3    26     1.45429   123.25762   174.73564
   31    30 S   HC   HA31    27     1.09538   108.98730    28.91421
   32    30 S   HC   HA32    28     1.09487   107.17970   145.90984
   33    29 S   CT   _C14    36     1.84978   100.46608   -77.17651
   34    33 S   HC   _H5_    37     1.09242   108.54917    29.83596
   35    30 S   CO3  _C3_    29     1.52959   113.32234   -94.35847
   36    35 S   O2Z  _O31    30     1.26386   115.52381   -41.33580
   37    35 S   O2Z  _O32    31     1.26373   114.90045   139.60451
   38    33 S   CT   _C15    38     1.53668   109.87217   -92.07505
   39    38 S   HC   _H20    39     1.09483   111.00935   157.55350
   40    38 S   HC   _H21    40     1.09312   113.66377    33.29021
   41    38 S   CO4  _C16    41     1.50683   102.60154   -86.99525
   42    41 S   O    _O33    42     1.22060   125.04062   166.92911
   43    41 S   CM   _C12    43     1.49227   109.96084   -14.70981
   44    33 S   CT   _C13    44     1.54887   109.36892   152.40087
   45    44 S   HC   _H4_    45     1.09717   110.65652   -35.93799
   46    43 S   CM   _C11    65     1.33892   122.68584   166.95776
   47    46 S   HC   _H19    66     1.08798   119.46473     2.96584
   48    44 S   CT   _C17    46     1.54356   113.59492  -158.85261
   49    48 S   HC   _H22    47     1.09800   110.73988   -55.26365
   50    48 S   HC   _H23    48     1.09764   110.00582  -170.75036
   51    46 S   CT   _C10    67     1.50519   124.50491  -175.96434
   52    51 S   HC   _H17    68     1.09453   110.22248   -20.40785
   53    51 S   HC   _H18    69     1.09695   107.96905  -136.53405
   54    48 S   CM   _C18    49     1.50205   113.61578    66.32128
   55    54 S   HC   _H24    50     1.08845   115.85246   -98.82801
   56    51 S   CT   _C9_    70     1.53485   111.37317   101.97710
   57    56 S   HC   _H3_    71     1.09672   110.18510   -44.74744
   58    54 S   CM   _C19    51     1.34204   126.65257    81.15929
   59    58 S   HC   _H25    52     1.08880   117.35100  -179.03775
   60    56 S   CT   _C8_    72     1.53461   111.13055  -165.69776
   61    60 S   HC   _H15    73     1.09724   109.77963   -60.42347
   62    60 S   HC   _H16    74     1.09697   109.28669    57.24753
   63    56 S   OH   _O36    88     1.42735   109.31957    73.08033
   64    63 S   HO   _H32    89     0.97236   107.86652    63.49388
   65    58 S   CT   _C20    53     1.50159   126.76862    -2.44409
   66    65 S   HC   _H26    54     1.09522   107.67194  -109.25351
   67    65 S   HC   _H27    55     1.09366   111.61354     7.53843
   68    60 S   CT   _C7_    75     1.53240   112.10602   178.73545
   69    68 S   HC   _H13    76     1.09651   109.56819   -53.45780
   70    68 S   HC   _H14    77     1.09643   109.84782    64.01829
   71    65 S   CT   _C21    56     1.53140   111.87786   130.13299
   72    71 S   HC   _H28    57     1.09716   109.93468    57.78179
   73    71 S   HC   _H29    58     1.09732   109.46658   -59.07215
   74    68 S   CT   _C6_    78     1.52931   111.22605  -174.56242
   75    74 S   HC   _H11    79     1.09581   109.37750    59.57811
   76    74 S   HC   _H12    80     1.09674   109.69896   -57.67022
   77    71 S   CT   _C22    59     1.52715   111.92508  -179.55987
   78    77 S   HC   _H30    60     1.09656   109.26307   176.20909
   79    77 S   HC   _H31    61     1.09684   109.70522    59.32468
   80    74 S   CT   _C5_    81     1.52799   111.47378  -179.24827
   81    80 S   HC   _H9_    82     1.09616   109.83215    60.92106
   82    80 S   HC   _H10    83     1.09586   110.00483   -56.79891
   83    77 S   CO3  _C23    62     1.52859   113.48728   -63.99300
   84    83 S   O2Z  _O35    63     1.26309   116.12738   -48.52449
   85    83 S   O2Z  _O34    64     1.26422   115.03987   131.31074
   86    80 S   CT   _C4_    84     1.52031   111.39431  -177.91503
   87    86 S   HC   _H6_    85     1.09477   111.00056    60.13647
   88    86 S   HC   _H7_    86     1.09466   110.99394   -60.35603
   89    86 S   HC   _H8_    87     1.09444   110.26594   179.87805
  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
  14   8   2   1   1   9   5   4   8   3  12  10   5   9   4   7
   4   3  10   5   4   7   3  10   6   8   4  11   6   5   2   1
   9   5   4   9   5   4   8   5   4   9   5   4   5   4   3   6
   5   4   2   1   1   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    48    49    50    54    46  
   38    39    40    41    43    44    45    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    46  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    48    46    47    51  
   43    44    46  
   44    45    48    49    50    54    46    47    51    52    53    56  
   45    48    49    50    54    55    58    46    47    51  
   48    49    50    54    46  
   47    51    52    53    56    57    60    63    48  
   51    52    53    56  
   49    50    54    55    58    59    65  
   50    54    55    58  
   54    55    58  
   52    53    56    57    60    61    62    68    63    64  
   53    56    57    60    63  
   56    57    60    63  
   55    58    59    65    66    67    71  
   58    59    65  
   57    60    61    62    68    69    70    74    63    64  
   60    61    62    68    63    64  
   59    65    66    67    71    72    73    77  
   65    66    67    71  
   61    62    68    69    70    74    75    76    80    63    64  
   62    68    69    70    74    63  
   68    69    70    74    63  
   64    68  
    0  
   66    67    71    72    73    77    78    79    83  
   67    71    72    73    77  
   71    72    73    77  
   69    70    74    75    76    80    81    82    86  
   70    74    75    76    80  
   74    75    76    80  
   72    73    77    78    79    83    84    85  
   73    77    78    79    83  
   77    78    79    83  
   75    76    80    81    82    86    87    88    89  
   76    80    81    82    86  
   80    81    82    86  
   78    79    83    84    85  
   79    83    84    85  
   83    84    85  
   81    82    86    87    88    89  
   82    86    87    88    89  
   86    87    88    89  
   84    85  
   85  
    0  
   87    88    89  
   88    89  
   89  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   317.000  1.510
   43    46   549.000  1.340
   44    45   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   317.000  1.522
   83    84   656.000  1.250
   83    85   656.000  1.250
   46    47   340.000  1.080
   46    51   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   63    64   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    70.00000  112.02700
   33    44    45    37.50000  110.70000
   33    44    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    65.00000  116.34900
   41    43    46    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    44    45    35.00000  109.50000
   43    44    48    70.00000  112.02700
   43    46    47    35.00000  120.00000
   43    46    51    70.00000  124.00000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    54    70.00000  112.02700
   48    44    45    37.50000  110.70000
   48    54    55    35.00000  117.00000
   48    54    58    70.00000  124.00000
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    58    59    35.00000  120.00000
   54    58    65    70.00000  124.00000
   58    54    55    35.00000  120.00000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    71    70.00000  112.02700
   65    58    59    35.00000  117.00000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    77    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    83    70.00000  109.69300
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    83    84    70.00000  117.00000
   77    83    85    70.00000  117.00000
   79    77    78    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    79    35.00000  109.50000
   85    83    84    80.00000  126.00000
   46    43    44    70.00000  124.00000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    56    70.00000  112.02700
   51    46    47    35.00000  117.00000
   51    56    57    37.50000  110.70000
   51    56    60    58.35000  112.70000
   51    56    63    50.00000  109.50000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    68    58.35000  112.70000
   56    63    64    55.00000  108.50000
   60    56    57    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    74    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    80    58.35000  112.70000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    86    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    37.50000  110.70000
   82    80    81    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    82    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   63    56    57    35.00000  109.50000
   63    56    60    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.56750  1.0 1.0
   29    33    44    43  -0.07550 -1.0 2.0
   29    33    44    43   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    48   0.44750  1.0 1.0
   29    33    44    48  -0.17800 -1.0 2.0
   29    33    44    48   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.65300  1.0 1.0
   33    38   -41    43  -0.03850 -1.0 2.0
   33    38   -41    43   0.33900  1.0 3.0
   33    44    48    49   0.15000  1.0 3.0
   33    44    48    50   0.15000  1.0 3.0
   33    44    48    54   0.34400  1.0 1.0
   33    44    48    54   0.09450 -1.0 2.0
   33    44    48    54   0.11100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    48   0.15000  1.0 3.0
   38    33   -44    43   0.34400  1.0 1.0
   38    33   -44    43   0.09450 -1.0 2.0
   38    33   -44    43   0.11100  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    48   0.56750  1.0 1.0
   38    33    44    48  -0.07550 -1.0 2.0
   38    33    44    48   0.20000  1.0 3.0
   38    41   -43    44   0.25700  1.0 1.0
   38    41   -43    44   0.66200 -1.0 2.0
   38    41   -43    44   0.04450  1.0 3.0
   38    41    43    46  -0.33500  1.0 1.0
   38    41    43    46   1.06600 -1.0 2.0
   38    41    43    46  -0.14000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33   0.09700  1.0 1.0
   41    43   -44    33   0.15600 -1.0 2.0
   41    43   -44    33  -0.50800  1.0 3.0
   41    43    44    45   0.15000  1.0 3.0
   41    43    44    48   0.09700  1.0 1.0
   41    43    44    48   0.15600 -1.0 2.0
   41    43    44    48  -0.50800  1.0 3.0
   41    43    46    47   7.00000 -1.0 2.0
   41    43    46    51   7.00000 -1.0 2.0
   42    41    43    44  -0.64400  1.0 1.0
   42    41    43    44   0.26850 -1.0 2.0
   42    41    43    46   1.00000 -1.0 2.0
   43    44    48    49   0.15000  1.0 3.0
   43    44    48    50   0.15000  1.0 3.0
   43    44    48    54   0.31000  1.0 1.0
   43    44    48    54   0.14700 -1.0 2.0
   43    44    48    54   0.07550  1.0 3.0
   43    46    51    52   0.00000  1.0 1.0
   43    46    51    53   0.00000  1.0 1.0
   43    46    51    56   0.09850  1.0 1.0
   43    46    51    56   0.15250 -1.0 2.0
   43    46    51    56  -0.50650  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    47   7.00000 -1.0 2.0
   44    43    46    51   7.00000 -1.0 2.0
   44    48    54    55   0.00000  1.0 1.0
   44    48    54    58   0.09850  1.0 1.0
   44    48    54    58   0.15250 -1.0 2.0
   44    48    54    58  -0.50650  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    54   0.15000  1.0 3.0
   48    54    58    59   7.00000 -1.0 2.0
   48    54    58    65   7.00000 -1.0 2.0
   49    48    54    55   0.33100  1.0 3.0
   49    48    54    58   0.00000  1.0 1.0
   50    48    54    55   0.33100  1.0 3.0
   50    48    54    58   0.00000  1.0 1.0
   54    58    65    66   0.00000  1.0 1.0
   54    58    65    67   0.00000  1.0 1.0
   54    58    65    71   0.09850  1.0 1.0
   54    58    65    71   0.15250 -1.0 2.0
   54    58    65    71  -0.50650  1.0 3.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    65   7.00000 -1.0 2.0
   58    65    71    72   0.15000  1.0 3.0
   58    65    71    73   0.15000  1.0 3.0
   58    65    71    77   0.34400  1.0 1.0
   58    65    71    77   0.09450 -1.0 2.0
   58    65    71    77   0.11100  1.0 3.0
   59    58    65    66   0.33100  1.0 3.0
   59    58    65    67   0.33100  1.0 3.0
   59    58    65    71   0.00000  1.0 1.0
   65    71    77    78   0.15000  1.0 3.0
   65    71    77    79   0.15000  1.0 3.0
   65    71    77    83  -1.63150  1.0 1.0
   65    71    77    83  -0.43550 -1.0 2.0
   65    71    77    83   0.24500  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    77   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    77   0.15000  1.0 3.0
   71    77    83    84   0.41150 -1.0 2.0
   71    77    83    85   0.41150 -1.0 2.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    83  -0.11250  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    83  -0.11250  1.0 3.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   0.00000  1.0 1.0
   79    77    83    84   0.00000  1.0 1.0
   79    77    83    85   0.00000  1.0 1.0
   46    43    44    33   0.09850  1.0 1.0
   46    43    44    33   0.15250 -1.0 2.0
   46    43    44    33  -0.50650  1.0 3.0
   46    43    44    45   0.00000  1.0 1.0
   46    43    44    48   0.09850  1.0 1.0
   46    43    44    48   0.15250 -1.0 2.0
   46    43    44    48  -0.50650  1.0 3.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    60   0.34400  1.0 1.0
   46    51    56    60   0.09450 -1.0 2.0
   46    51    56    60   0.11100  1.0 3.0
   46    51    56    63   1.05650  1.0 1.0
   46    51    56    63   0.15600 -1.0 2.0
   46    51    56    63   0.53150  1.0 3.0
   47    46    51    52   0.33100  1.0 3.0
   47    46    51    53   0.33100  1.0 3.0
   47    46    51    56   0.00000  1.0 1.0
   51    56    60    61   0.15000  1.0 3.0
   51    56    60    62   0.15000  1.0 3.0
   51    56    60    68   0.56750  1.0 1.0
   51    56    60    68  -0.07550 -1.0 2.0
   51    56    60    68   0.20000  1.0 3.0
   51    56    63    64  -0.11600  1.0 1.0
   51    56    63    64  -0.09450 -1.0 2.0
   51    56    63    64   0.21250  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    63   0.23400  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    60   0.15000  1.0 3.0
   53    51    56    63   0.23400  1.0 3.0
   56    60    68    69   0.15000  1.0 3.0
   56    60    68    70   0.15000  1.0 3.0
   56    60    68    74   0.56750  1.0 1.0
   56    60    68    74  -0.07550 -1.0 2.0
   56    60    68    74   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    68   0.15000  1.0 3.0
   57    56    63    64   0.19450  1.0 3.0
   60    56    63    64  -0.11600  1.0 1.0
   60    56    63    64  -0.09450 -1.0 2.0
   60    56    63    64   0.21250  1.0 3.0
   60    68    74    75   0.15000  1.0 3.0
   60    68    74    76   0.15000  1.0 3.0
   60    68    74    80   0.56750  1.0 1.0
   60    68    74    80  -0.07550 -1.0 2.0
   60    68    74    80   0.20000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    74   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    70   0.15000  1.0 3.0
   62    60    68    74   0.15000  1.0 3.0
   68    74    80    81   0.15000  1.0 3.0
   68    74    80    82   0.15000  1.0 3.0
   68    74    80    86   0.56750  1.0 1.0
   68    74    80    86  -0.07550 -1.0 2.0
   68    74    80    86   0.20000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    80   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    80   0.15000  1.0 3.0
   74    80    86    87   0.15000  1.0 3.0
   74    80    86    88   0.15000  1.0 3.0
   74    80    86    89   0.15000  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    86   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    86   0.15000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    89   0.15000  1.0 3.0
   82    80    86    87   0.15000  1.0 3.0
   82    80    86    88   0.15000  1.0 3.0
   82    80    86    89   0.15000  1.0 3.0
   63    56    60    61   0.23400  1.0 3.0
   63    56    60    62   0.23400  1.0 3.0
   63    56    60    68   0.86500  1.0 1.0
   63    56    60    68  -0.17500 -1.0 2.0
   63    56    60    68   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    46   1.10000 -1.0 2.0
   48    55    54    58  15.00000 -1.0 2.0
   65    59    58    54  15.00000 -1.0 2.0
   84    77    83    85  10.50000 -1.0 2.0
   51    47    46    43   1.10000 -1.0 2.0
END
