* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    156    221     450
    1     0 S   NP   _N1_     1    29.00563    96.54474   -24.28902
    2     1 S   H    _HN1     2     1.02780   111.42308  -110.68343
    3     1 S   H    _H1_     3     1.02956    77.34936    -5.72930
    4     1 S   H    _H2_     4     1.02832    30.63286   160.13193
    5     1 S   CT   _CA1     5     1.50138   129.85188   100.37619
    6     5 S   HC   _HA1     6     1.09575   105.21361    87.29103
    7     5 S   CO3  _C1_     7     1.53778   112.33593   -32.90302
    8     7 S   O2Z  _O11     8     1.26367   114.99668   -44.52278
    9     7 S   O2Z  _O12     9     1.26232   114.92680   134.50895
   10     5 S   CT   _CB1    10     1.53077   107.39888  -154.81726
   11    10 S   HC   HB11    11     1.09831   109.31851   -50.49001
   12    10 S   HC   HB12    12     1.09816   110.43314    66.04935
   13    10 S   CT   _CG1    13     1.53019   112.69686  -171.55254
   14    13 S   HC   HG11    14     1.09593   110.53420   -64.70662
   15    13 S   HC   HG12    15     1.09655   109.91958    54.53641
   16    13 S   C    _CD1    16     1.51807   112.20854   174.88699
   17    16 S   O    _OE1    17     1.22759   123.31699     1.69662
   18    16 S   N    _N2_    18     1.38568   111.81121  -178.39721
   19    18 S   H    _HN2    19     1.01618   119.10822     2.80142
   20    18 S   CT1  _CA2    20     1.45934   122.78582   178.05680
   21    20 S   HC   _HA2    21     1.09664   110.11686    21.10160
   22    20 S   C    _C2_    22     1.52732   104.55235   -96.48048
   23    22 S   O    _O2_    23     1.23016   122.50512   -85.65443
   24    20 S   CT   _CB2    32     1.53184   111.56862   144.37570
   25    24 S   HC   HB21    33     1.09468   110.09744    55.49255
   26    24 S   HC   HB22    34     1.09524   109.54108   174.11504
   27    22 S   N    _N3_    24     1.38415   113.08881    89.94075
   28    27 S   H    _HN3    25     1.01702   120.23471     0.21214
   29    24 S   S    _SG2    35     1.83037   111.12523   -66.16229
   30    27 S   CT   _CA3    26     1.45338   122.27504  -176.59245
   31    30 S   HC   HA31    27     1.09547   107.84004   -54.65743
   32    30 S   HC   HA32    28     1.09573   107.51949    61.45083
   33    29 S   CT   _C13    36     1.87034   101.26134   159.47824
   34    30 S   CO3  _C3_    29     1.52841   114.53582  -177.20894
   35    34 S   O2Z  _O31    30     1.26310   116.11534    -6.20886
   36    34 S   O2Z  _O32    31     1.26475   114.36687   173.91910
   37    33 S   CO4  _C11    37     1.53417   107.94942   -65.11692
   38    37 S   O    _O23    38     1.23335   121.98676   -30.39419
   39    33 S   CT   _C16    83     1.53938   106.18364  -179.79064
   40    39 S   HC   _H33    84     1.09558   112.39200   -59.46764
   41    39 S   HC   _H34    85     1.09618   111.30940  -179.85196
   42    39 S   HC   _H35    86     1.09734   111.58078    61.70902
   43    37 S   CM   _C9_    39     1.50453   119.07982   153.61841
   44    43 S   CM   _C8_    40     1.34602   121.08232    -2.16338
   45    43 S   CT   _C15    79     1.50615   114.01820   176.65871
   46    45 S   HC   _H30    80     1.09488   110.20236   -71.15898
   47    45 S   HC   _H31    81     1.09192   113.56400   167.32751
   48    45 S   HC   _H32    82     1.09594   110.49611    48.66756
   49    44 S   CO4  _C10    41     1.49880   120.24640    -5.21384
   50    49 S   O    _O22    42     1.23043   119.70728   165.63985
   51    44 S   CT   _C14    75     1.50490   125.57096   174.28708
   52    51 S   HC   _H27    76     1.09500   110.08819   112.76391
   53    51 S   HC   _H28    77     1.09170   113.71747    -8.45108
   54    51 S   HC   _H29    78     1.09572   110.53928  -127.52119
   55    33 S   CT   _C12    43     1.54208   111.27098    57.22781
   56    55 S   HC   _H26    44     1.09839   109.45299   -57.61955
   57    55 S   CT   _C21    45     1.54853   114.13639    64.28925
   58    57 S   HC   _H44    46     1.09714   110.77111    85.66706
   59    57 S   HC   _H45    47     1.09498   110.97657   -32.06579
   60    57 S   CT   _C24    48     1.53433   111.72165  -151.70935
   61    60 S   HC   _H50    49     1.09633   108.50305    60.57726
   62    60 S   HC   _H51    50     1.09588   110.60017   -56.45080
   63    60 S   CT   _C23    51     1.53327   111.24469  -178.01170
   64    63 S   HC   _H48    52     1.09698   108.65712    68.56952
   65    63 S   HC   _H49    53     1.09755   109.98670   -48.11421
   66    63 S   CT   _C18    54     1.53058   112.54269  -170.76350
   67    66 S   HC   _H38    55     1.09622   108.87659  -168.50669
   68    66 S   HC   _H39    56     1.09573   110.28276   -51.34824
   69    66 S   CZ   _C5_    57     1.47018   111.23190    71.42235
   70    69 S   CZ   _C4_    58     1.20093   177.33700     1.44632
   71    70 S   CT   _C17    59     1.46942   178.02018     5.07134
   72    71 S   HC   _H36    60     1.09623   109.30609    99.69593
   73    71 S   HC   _H37    61     1.09564   109.36111  -143.24270
   74    71 S   CT   _C22    62     1.53263   110.71525   -21.42549
   75    74 S   HC   _H46    63     1.09838   109.82452   -62.28793
   76    74 S   HC   _H47    64     1.09816   109.19681    54.00482
   77    74 S   CT   _C19    65     1.52885   112.85462   174.40318
   78    77 S   HC   _H40    66     1.09645   108.70391  -171.29392
   79    77 S   HC   _H41    67     1.09600   110.01642   -54.77146
   80    77 S   CZ   _C6_    68     1.46822   112.29172    68.11797
   81    80 S   CZ   _C7_    69     1.20090   179.07804   130.01229
   82    81 S   CT   _C20    70     1.46177   178.71702   -12.01665
   83    82 S   HC   _H42    71     1.09420   110.73910    69.95103
   84    82 S   HC   _H43    72     1.09426   110.70338   -50.63873
   85    82 S   OH   _O24    73     1.42090   109.70069  -170.31477
   86    85 S   HO   _H52    74     0.97213   106.86758   179.89347
  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  12   5   4   3
  17   2   1   1  16   5   8   3   2   1  12  13   5   2   1   1
  11   4   4   2   1   1   8   4   9   5   4   9   5   4   7   5
   4   5   3   2   5   7   9   5   4   7   5   4   5   3   2   5
   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    49    55    56    57    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    49    50    55    56    57    58    59    60    45    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    49    55    56    57    51    45    46    47    48    39    40    41    42  
   43    44    55    45    39  
   40    41    42    43    49    55    56    57  
   41    42    55  
   42    55  
   55  
   44    49    50    55    51    52    53    54    45    46    47    48  
   49    50    55    56    57    51    52    53    54    45    46    47    48  
   46    47    48    49    51  
   47    48  
   48  
    0  
   50    55    56    57    58    59    60    51    52    53    54  
   55    56    57    51  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62    63  
   57    58    59    60  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    67    68    69  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71  
   68    69    70  
   69    70  
   70    71    72    73    74  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82  
   79    80    81  
   80    81  
   81    82    83    84    85  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   70   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   81   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    55   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    43   320.000  1.462
   43    44   549.000  1.340
   43    45   317.000  1.510
   44    49   320.000  1.462
   44    51   317.000  1.510
   49    50   570.000  1.229
   49    55   317.000  1.522
   55    56   340.000  1.090
   55    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   390.000  1.470
   69    70   985.000  1.221
   70    71   390.000  1.470
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   390.000  1.470
   80    81   985.000  1.221
   81    82   390.000  1.470
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   320.000  1.410
   85    86   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  110.18000
   29    33    55    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  118.62400
   33    55    49    63.00000  111.10000
   33    55    56    37.50000  110.70000
   33    55    57    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  118.96000
   37    43    45    65.00000  116.34900
   43    37    38    80.00000  123.72100
   43    44    49    65.00000  118.96000
   43    44    51    70.00000  124.00000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    35.00000  109.50000
   44    49    50    80.00000  123.72100
   44    49    55    65.00000  118.62400
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    54    35.00000  109.50000
   49    55    56    35.00000  109.50000
   49    55    57    63.00000  111.10000
   55    33    37    63.00000  111.10000
   55    49    50    80.00000  120.40000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    60    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    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    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    30.00000  179.48800
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  108.50000
   69    66    68    35.00000  108.50000
   69    70    71    30.00000  179.48800
   70    71    72    35.00000  108.50000
   70    71    73    35.00000  108.50000
   70    71    74    58.35000  112.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    30.00000  179.48800
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  108.50000
   80    77    79    35.00000  108.50000
   80    81    82    30.00000  179.48800
   81    82    83    35.00000  108.50000
   81    82    84    35.00000  108.50000
   81    82    85    90.00000  111.78800
   82    85    86    55.00000  108.50000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   51    44    49    65.00000  116.34900
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   45    43    44    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    55    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    55    49   0.56750  1.0 1.0
   29    33    55    49  -0.07550 -1.0 2.0
   29    33    55    49   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.44750  1.0 1.0
   29    33    55    57  -0.17800 -1.0 2.0
   29    33    55    57   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44  -0.33500  1.0 1.0
   33    37    43    44   1.06600 -1.0 2.0
   33    37    43    44  -0.14000  1.0 3.0
   33    37    43    45   0.25700  1.0 1.0
   33    37    43    45   0.66200 -1.0 2.0
   33    37    43    45   0.04450  1.0 3.0
   33    55    57    58   0.15000  1.0 3.0
   33    55    57    59   0.15000  1.0 3.0
   33    55    57    60   0.56750  1.0 1.0
   33    55    57    60  -0.07550 -1.0 2.0
   33    55    57    60   0.20000  1.0 3.0
   37    33    55    49   0.11950  1.0 1.0
   37    33    55    49   0.20300 -1.0 2.0
   37    33    55    49  -0.70800  1.0 3.0
   37    33    55    56  -0.11250  1.0 3.0
   37    33    55    57  -0.95700  1.0 1.0
   37    33    55    57  -0.18200 -1.0 2.0
   37    33    55    57   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    43   -44    49   7.00000 -1.0 2.0
   37    43    44    51   7.00000 -1.0 2.0
   37    43    45    46   0.15000  1.0 3.0
   37    43    45    47   0.15000  1.0 3.0
   37    43    45    48   0.15000  1.0 3.0
   38    37    43    44   1.00000 -1.0 2.0
   38    37    43    45  -0.64400  1.0 1.0
   38    37    43    45   0.26850 -1.0 2.0
   43    44    49    50   1.00000 -1.0 2.0
   43    44    49    55  -0.33500  1.0 1.0
   43    44    49    55   1.06600 -1.0 2.0
   43    44    49    55  -0.14000  1.0 3.0
   43    44    51    52   0.00000  1.0 1.0
   43    44    51    53   0.00000  1.0 1.0
   43    44    51    54   0.00000  1.0 1.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   44    49   -55    33   0.65300  1.0 1.0
   44    49   -55    33  -0.03850 -1.0 2.0
   44    49   -55    33   0.33900  1.0 3.0
   44    49    55    56   0.00000  1.0 1.0
   44    49    55    57   0.65300  1.0 1.0
   44    49    55    57  -0.03850 -1.0 2.0
   44    49    55    57   0.33900  1.0 3.0
   49    44    51    52   0.15000  1.0 3.0
   49    44    51    53   0.15000  1.0 3.0
   49    44    51    54   0.15000  1.0 3.0
   49    55    57    58  -0.11250  1.0 3.0
   49    55    57    59  -0.11250  1.0 3.0
   49    55    57    60  -0.95700  1.0 1.0
   49    55    57    60  -0.18200 -1.0 2.0
   49    55    57    60   0.29450  1.0 3.0
   50    49    55    33   0.30150 -1.0 2.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    57   0.30150 -1.0 2.0
   55    33    37    38   0.30150 -1.0 2.0
   55    33   -37    43   0.65300  1.0 1.0
   55    33   -37    43  -0.03850 -1.0 2.0
   55    33   -37    43   0.33900  1.0 3.0
   55    33    39    40   0.15000  1.0 3.0
   55    33    39    41   0.15000  1.0 3.0
   55    33    39    42   0.15000  1.0 3.0
   55    57    60    61   0.15000  1.0 3.0
   55    57    60    62   0.15000  1.0 3.0
   55    57    60    63   0.56750  1.0 1.0
   55    57    60    63  -0.07550 -1.0 2.0
   55    57    60    63   0.20000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    60   0.15000  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    66   0.56750  1.0 1.0
   57    60    63    66  -0.07550 -1.0 2.0
   57    60    63    66   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69  -0.74000  1.0 1.0
   60    63    66    69   0.24050 -1.0 2.0
   60    63    66    69   0.24650  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    69    70   0.00000  1.0 1.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    70    71   0.00000  1.0 1.0
   67    66    69    70   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   69    70    71    72   0.00000  1.0 1.0
   69    70    71    73   0.00000  1.0 1.0
   69    70    71    74   0.00000  1.0 1.0
   70    71    74    75   0.15000  1.0 3.0
   70    71    74    76   0.15000  1.0 3.0
   70    71    74    77  -0.74000  1.0 1.0
   70    71    74    77   0.24050 -1.0 2.0
   70    71    74    77   0.24650  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74    77    80  -0.74000  1.0 1.0
   71    74    77    80   0.24050 -1.0 2.0
   71    74    77    80   0.24650  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    80    81   0.00000  1.0 1.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    81    82   0.00000  1.0 1.0
   78    77    80    81   0.00000  1.0 1.0
   79    77    80    81   0.00000  1.0 1.0
   80    81    82    83   0.00000  1.0 1.0
   80    81    82    84   0.00000  1.0 1.0
   80    81    82    85   0.00000  1.0 1.0
   81    82    85    86   0.35600  1.0 1.0
   81    82    85    86  -0.10750 -1.0 2.0
   81    82    85    86  -0.54400  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   51    44    49    50  -0.64400  1.0 1.0
   51    44    49    50   0.26850 -1.0 2.0
   51    44    49    55   0.25700  1.0 1.0
   51    44    49    55   0.66200 -1.0 2.0
   51    44    49    55   0.04450  1.0 3.0
   45    43    44    49   7.00000 -1.0 2.0
   45    43    44    51   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    43   0.65300  1.0 1.0
   39    33    37    43  -0.03850 -1.0 2.0
   39    33    37    43   0.33900  1.0 3.0
   39    33    55    49  -0.95700  1.0 1.0
   39    33    55    49  -0.18200 -1.0 2.0
   39    33    55    49   0.29450  1.0 3.0
   39    33    55    56   0.15000  1.0 3.0
   39    33    55    57   0.56750  1.0 1.0
   39    33    55    57  -0.07550 -1.0 2.0
   39    33    55    57   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   37    45    43    44   1.10000 -1.0 2.0
   49    51    44    43   1.10000 -1.0 2.0
   44    55    49    50  10.50000 -1.0 2.0
END
