* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    165    270     495
    1     0 S   NP   _N1_     1    28.76703    92.93980   -22.18998
    2     1 S   H    _HN1     2     1.02957    90.19488    33.14139
    3     1 S   H    _H1_     3     1.02832    23.69336   169.33661
    4     1 S   H    _H2_     4     1.02785    98.65002   -75.43049
    5     1 S   CT   _CA1     5     1.50117   133.64569   152.15390
    6     5 S   HC   _HA1     6     1.09573   105.23161    66.42052
    7     5 S   CO3  _C1_     7     1.53763   112.43665   -53.83288
    8     7 S   O2Z  _O11     8     1.26359   114.99933   -43.57082
    9     7 S   O2Z  _O12     9     1.26238   114.91842   135.62745
   10     5 S   CT   _CB1    10     1.53062   107.41644  -175.65283
   11    10 S   HC   HB11    11     1.09840   109.29767   -50.73018
   12    10 S   HC   HB12    12     1.09825   110.43008    65.77112
   13    10 S   CT   _CG1    13     1.53060   112.72689  -171.83057
   14    13 S   HC   HG11    14     1.09582   110.56254   -64.97975
   15    13 S   HC   HG12    15     1.09651   109.94806    54.36736
   16    13 S   C    _CD1    16     1.51744   112.07999   174.68813
   17    16 S   O    _OE1    17     1.22709   123.07683     1.95445
   18    16 S   N    _N2_    18     1.38636   111.87416  -178.00276
   19    18 S   H    _HN2    19     1.01590   119.04824     0.48537
   20    18 S   CT1  _CA2    20     1.46135   123.23717   178.52608
   21    20 S   HC   _HA2    21     1.09418   109.06122    -8.84735
   22    20 S   C    _C2_    22     1.53226   108.23972  -123.01182
   23    22 S   O    _O2_    23     1.22937   122.46829  -140.68323
   24    20 S   CT   _CB2    32     1.53317   112.04547   113.08694
   25    24 S   HC   HB21    33     1.09624   109.87836    55.40194
   26    24 S   HC   HB22    34     1.09567   111.12387   173.28064
   27    22 S   N    _N3_    24     1.38587   112.76483    47.00644
   28    27 S   H    _HN3    25     1.01533   118.85726    -2.44960
   29    24 S   S    _SG2    35     1.82666   112.92914   -64.29509
   30    27 S   CT   _CA3    26     1.45436   123.87794   172.27401
   31    30 S   HC   HA31    27     1.09491   109.56075    16.31599
   32    30 S   HC   HA32    28     1.09488   107.06034   133.61795
   33    29 S   CM   _C23    36     1.73173   100.47445   -71.21989
   34    33 S   F    F1__    37     1.35260   118.20809   -41.81220
   35    30 S   CO3  _C3_    29     1.53071   112.90353  -107.18547
   36    35 S   O2Z  _O31    30     1.26432   115.55453   -38.37393
   37    35 S   O2Z  _O32    31     1.26364   114.86979   142.40767
   38    33 S   CM   _C22    38     1.34341   122.53032   136.58545
   39    38 S   F    F2__    39     1.35792   117.74728    -0.20748
   40    38 S   CT   _C21    40     1.52586   125.08761   179.43076
   41    40 S   CT   _C20    41     1.55742   109.74824  -153.81471
   42    41 S   HC   _H22    42     1.09728   111.32044   142.45067
   43    41 S   HC   _H23    43     1.09645   112.57347    23.97937
   44    40 S   OH   _O33    84     1.42568   109.50616   -35.53164
   45    44 S   HO   _H24    85     0.97288   107.84419    71.55841
   46    41 S   CT   _C19    44     1.54391   106.84294   -97.78026
   47    46 S   HC   _H20    45     1.09503   111.06329   123.83722
   48    46 S   HC   _H21    46     1.09572   110.22724  -117.04230
   49    46 S   CT   _C18    47     1.52756   104.91215     3.25185
   50    49 S   HC   _H5_    48     1.10099   106.21893    83.65056
   51    49 S   CT   _C17    49     1.53104   118.99770  -156.96553
   52    51 S   HC   _H4_    50     1.09743   109.59927    62.69358
   53    51 S   CT   _C16    51     1.53020   112.51878   -56.68908
   54    53 S   HC   _H18    52     1.09564   111.25808    53.80867
   55    53 S   HC   _H19    53     1.09778   110.06231   -64.54561
   56    51 S   CT   _C8_    66     1.55882   108.70897  -177.51147
   57    56 S   HC   _H3_    67     1.10063   107.53132    61.05618
   58    53 S   CT   _C15    54     1.52599   109.76312   174.31676
   59    58 S   HC   _H16    55     1.09754   109.08458   -74.54348
   60    58 S   HC   _H17    56     1.09678   108.55743   168.65332
   61    56 S   CT   _C7_    68     1.55069   110.88341   -54.94828
   62    61 S   HC   _H11    69     1.09626   109.98329   -72.08162
   63    61 S   HC   _H12    70     1.09613   110.30539   171.30875
   64    58 S   CA   _C14    57     1.50911   113.87419    46.01404
   65    61 S   CT   _C6_    71     1.54020   113.10181    51.79041
   66    65 S   HC   _H9_    72     1.09218   106.85490    68.80162
   67    65 S   HC   _H10    73     1.09645   109.74219  -176.11622
   68    64 S   CA   _C13    58     1.40681   117.86241   166.52366
   69    68 S   HA   _H15    59     1.08885   119.43090    -0.65551
   70    40 S   CT   _C5_    74     1.56715   115.58676    91.94456
   71    68 S   CA   _C12    60     1.39660   121.38394   179.57433
   72    70 S   CT   _C4_    75     1.55817   109.75504  -164.77017
   73    72 S   HC   _H6_    76     1.09405   112.77716   -50.92399
   74    72 S   HC   _H7_    77     1.09289   112.92379  -171.79577
   75    72 S   HC   _H8_    78     1.09629   110.55453    68.97438
   76    71 S   CA   _C11    61     1.39130   118.91623     0.07402
   77    76 S   HA   _H14    62     1.08557   122.02166   179.07275
   78    71 S   OS   _O34    79     1.36890   115.08711   179.72732
   79    76 S   CA   _C10    63     1.39943   120.19153    -0.59413
   80    79 S   HA   _H13    64     1.08681   117.36166   178.66499
   81    78 S   CT   _C24    80     1.42280   116.73632   179.71196
   82    81 S   HC   _H25    81     1.09429   107.75161  -179.55898
   83    81 S   HC   _H26    82     1.09501   111.11786    62.69441
   84    81 S   HC   _H27    83     1.09504   111.15509   -61.78704
   85    64 S   CA   _C9_    65     1.40926   122.29981   -15.66985
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   7   3   2   1   1  12   4  20  13   7   6   6   1  11   5   4
  19   7  18   9  12   6   5  15   7   8   4   3  10   6   5   8
   8   3   2   8   4   4  10   3   2   1   1   6   4   5   2   1
   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    70    44  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    46    49    65    70    72    44    45  
   40    41    70    44  
   41    42    43    46    47    48    49    50    51    61    65    66    67    70    72    73    74    75    44    45  
   42    43    46    47    48    49    50    51    65    70    72    44    45  
   43    46    47    48    49    70    44  
   46    47    48    49    70    44  
   45    46    49    65    70    72  
   70  
   47    48    49    50    51    52    53    56    65    70    72  
   48    49    50    51    70  
   49    50    51    70  
   50    51    52    53    54    55    58    85    56    57    61    65    66    67    70    72    73    74    75  
   51    52    53    56    65    70    72  
   52    53    54    55    58    59    60    64    79    85    56    57    61    62    63    65    70    72  
   53    54    55    58    85    56    57    61    70  
   54    55    58    59    60    64    68    85    56    57    61    70  
   55    58    59    60    64    56  
   58    59    60    64    56  
   57    61    62    63    65    66    67    70    58    64    68    76    79    80    85  
   61    62    63    65    64    79    85  
   59    60    64    68    69    71    79    85  
   60    64    68    85  
   64    68    85  
   62    63    65    66    67    70    72    64    79    85  
   63    65    66    67    70    85  
   65    66    67    70    85  
   68    69    71    76    79    80    85    78  
   66    67    70    72    73    74    75    85  
   67    70    72  
   70    72  
   69    71    76    77    79    85    78    81  
   71    76    85    78  
   72    73    74    75  
   76    77    79    80    85    78    81    82    83    84  
   73    74    75  
   74    75  
   75  
    0  
   77    79    80    85    78    81  
   79    80    85    78  
   81    82    83    84    79  
   80    85  
   85  
   82    83    84  
   83    84  
   84  
    0  
    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  -0.175000   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   3.5500   0.0760   0.198900   2.0020   1.7750   0.023028004  -0.852763146
   34   2.9400   0.0610  -0.191400   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0760   0.191400   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9400   0.0610  -0.191400   2.4980   2.2250   0.001000000   0.985400000
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.005000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
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   240.000  1.763
   33    34   480.000  1.343
   33    38   549.000  1.340
   38    39   480.000  1.343
   38    40   317.000  1.510
   40    41   268.000  1.529
   40    70   268.000  1.529
   40    44   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    70   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    68   469.000  1.400
   64    85   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    76   469.000  1.400
   71    78   450.000  1.364
   76    77   367.000  1.080
   76    79   469.000  1.400
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    56   317.000  1.510
   56    57   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   78    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   44    45   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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.60000
   29    33    38    65.00000  122.11800
   33    38    39    75.00000  119.07600
   33    38    40    70.00000  124.00000
   38    33    34    75.00000  119.07600
   38    40    41    70.00000  112.02700
   38    40    70    70.00000  112.02700
   38    40    44    90.00000  110.39200
   40    38    39    75.00000  119.00000
   40    41    42    37.50000  110.70000
   40    41    43    37.50000  110.70000
   40    41    46    58.35000  112.70000
   40    70    49    58.35000  112.70000
   40    70    65    58.35000  112.70000
   40    70    72    58.35000  112.70000
   40    44    45    55.00000  108.50000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    58.35000  112.70000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    70    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    58.35000  112.70000
   49    51    56    58.35000  112.70000
   49    70    65    58.35000  112.70000
   49    70    72    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    58.35000  112.70000
   51    56    85    70.00000  112.17500
   51    56    57    37.50000  110.70000
   51    56    61    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    64    70.00000  112.17500
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    64    68    70.00000  120.00000
   58    64    85    70.00000  120.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    68    69    35.00000  120.00000
   64    68    71    63.00000  120.00000
   64    85    79    63.00000  120.00000
   64    85    56    70.00000  120.00000
   68    71    76    63.00000  120.00000
   68    71    78    70.00000  120.00000
   71    68    69    35.00000  120.00000
   71    76    77    35.00000  120.00000
   71    76    79    63.00000  120.00000
   71    78    81    75.00000  111.00000
   76    79    80    35.00000  120.00000
   76    79    85    63.00000  120.00000
   79    76    77    35.00000  120.00000
   79    85    56    70.00000  120.00000
   85    64    68    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    56    57    35.00000  109.50000
   85    56    61    70.00000  112.17500
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    65    58.35000  112.70000
   61    56    57    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    70    58.35000  112.70000
   63    61    62    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    63    37.50000  110.70000
   65    70    72    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    40    41    58.35000  112.70000
   70    49    50    37.50000  110.70000
   70    49    51    58.35000  112.70000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   78    71    76    70.00000  120.00000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   44    40    41    50.00000  109.50000
   44    40    70    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   0.09850  1.0 1.0
   33    38    40    41   0.15250 -1.0 2.0
   33    38    40    41  -0.50650  1.0 3.0
   33    38    40    70   0.09850  1.0 1.0
   33    38    40    70   0.15250 -1.0 2.0
   33    38    40    70  -0.50650  1.0 3.0
   33    38    40    44   0.67800  1.0 1.0
   33    38    40    44   0.47050 -1.0 2.0
   33    38    40    44  -0.62500  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    41    42   0.15000  1.0 3.0
   38    40    41    43   0.15000  1.0 3.0
   38    40    41    46   0.34400  1.0 1.0
   38    40    41    46   0.09450 -1.0 2.0
   38    40    41    46   0.11100  1.0 3.0
   38    40    70    49   0.34400  1.0 1.0
   38    40    70    49   0.09450 -1.0 2.0
   38    40    70    49   0.11100  1.0 3.0
   38    40    70    65   0.34400  1.0 1.0
   38    40    70    65   0.09450 -1.0 2.0
   38    40    70    65   0.11100  1.0 3.0
   38    40    70    72   0.34400  1.0 1.0
   38    40    70    72   0.09450 -1.0 2.0
   38    40    70    72   0.11100  1.0 3.0
   38    40    44    45  -0.07800  1.0 1.0
   38    40    44    45  -0.21500 -1.0 2.0
   38    40    44    45  -0.03150  1.0 3.0
   39    38    40    41   0.09700  1.0 1.0
   39    38    40    41   0.15600 -1.0 2.0
   39    38    40    41  -0.50800  1.0 3.0
   39    38    40    70   0.09700  1.0 1.0
   39    38    40    70   0.15600 -1.0 2.0
   39    38    40    70  -0.50800  1.0 3.0
   39    38    40    44   0.09700  1.0 1.0
   39    38    40    44   0.15600 -1.0 2.0
   39    38    40    44  -0.50800  1.0 3.0
   40    41    46    47   0.15000  1.0 3.0
   40    41    46    48   0.15000  1.0 3.0
   40    41   -46    49   0.56750  1.0 1.0
   40    41   -46    49  -0.07550 -1.0 2.0
   40    41   -46    49   0.20000  1.0 3.0
   40    70    72    73   0.15000  1.0 3.0
   40    70    72    74   0.15000  1.0 3.0
   40    70    72    75   0.15000  1.0 3.0
   41    40   -70    49   0.56750  1.0 1.0
   41    40   -70    49  -0.07550 -1.0 2.0
   41    40   -70    49   0.20000  1.0 3.0
   41    40    70    65   0.56750  1.0 1.0
   41    40    70    65  -0.07550 -1.0 2.0
   41    40    70    65   0.20000  1.0 3.0
   41    40    70    72   0.56750  1.0 1.0
   41    40    70    72  -0.07550 -1.0 2.0
   41    40    70    72   0.20000  1.0 3.0
   41    40    44    45  -0.11600  1.0 1.0
   41    40    44    45  -0.09450 -1.0 2.0
   41    40    44    45   0.21250  1.0 3.0
   41    46    49    50   0.15000  1.0 3.0
   41    46    49    51   0.56750  1.0 1.0
   41    46    49    51  -0.07550 -1.0 2.0
   41    46    49    51   0.20000  1.0 3.0
   41    46   -49    70   0.56750  1.0 1.0
   41    46   -49    70  -0.07550 -1.0 2.0
   41    46   -49    70   0.20000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    49   0.15000  1.0 3.0
   46    49    51    52   0.15000  1.0 3.0
   46    49    51    53   0.56750  1.0 1.0
   46    49    51    53  -0.07550 -1.0 2.0
   46    49    51    53   0.20000  1.0 3.0
   46    49    51    56   0.56750  1.0 1.0
   46    49    51    56  -0.07550 -1.0 2.0
   46    49    51    56   0.20000  1.0 3.0
   46    49   -70    40   0.56750  1.0 1.0
   46    49   -70    40  -0.07550 -1.0 2.0
   46    49   -70    40   0.20000  1.0 3.0
   46    49    70    65   0.56750  1.0 1.0
   46    49    70    65  -0.07550 -1.0 2.0
   46    49    70    65   0.20000  1.0 3.0
   46    49    70    72   0.56750  1.0 1.0
   46    49    70    72  -0.07550 -1.0 2.0
   46    49    70    72   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    70   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    70   0.15000  1.0 3.0
   49    51    53    54   0.15000  1.0 3.0
   49    51    53    55   0.15000  1.0 3.0
   49    51    53    58   0.56750  1.0 1.0
   49    51    53    58  -0.07550 -1.0 2.0
   49    51    53    58   0.20000  1.0 3.0
   49    51    56    85  -0.03700  1.0 1.0
   49    51    56    85   0.37200 -1.0 2.0
   49    51    56    85  -0.47300  1.0 3.0
   49    51    56    57   0.15000  1.0 3.0
   49    51    56    61   0.56750  1.0 1.0
   49    51    56    61  -0.07550 -1.0 2.0
   49    51    56    61   0.20000  1.0 3.0
   49    70    72    73   0.15000  1.0 3.0
   49    70    72    74   0.15000  1.0 3.0
   49    70    72    75   0.15000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    70    40   0.15000  1.0 3.0
   50    49    70    65   0.15000  1.0 3.0
   50    49    70    72   0.15000  1.0 3.0
   51    49    70    40   0.56750  1.0 1.0
   51    49    70    40  -0.07550 -1.0 2.0
   51    49    70    40   0.20000  1.0 3.0
   51    49    70    65   0.56750  1.0 1.0
   51    49    70    65  -0.07550 -1.0 2.0
   51    49    70    65   0.20000  1.0 3.0
   51    49    70    72   0.56750  1.0 1.0
   51    49    70    72  -0.07550 -1.0 2.0
   51    49    70    72   0.20000  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    64  -0.03700  1.0 1.0
   51    53    58    64   0.37200 -1.0 2.0
   51    53    58    64  -0.47300  1.0 3.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56   -61    65   0.56750  1.0 1.0
   51    56   -61    65  -0.07550 -1.0 2.0
   51    56   -61    65   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    85   0.43200  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    85  -0.03700  1.0 1.0
   53    51    56    85   0.37200 -1.0 2.0
   53    51    56    85  -0.47300  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    61   0.56750  1.0 1.0
   53    51    56    61  -0.07550 -1.0 2.0
   53    51    56    61   0.20000  1.0 3.0
   53    58    64    68   0.04150 -1.0 2.0
   53    58   -64    85   0.04150 -1.0 2.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    64   0.43200  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    64   0.43200  1.0 3.0
   58    64    68    69   3.62500 -1.0 2.0
   58    64    68    71   3.62500 -1.0 2.0
   58    64    85    79   3.62500 -1.0 2.0
   58    64    85    56   3.62500 -1.0 2.0
   59    58    64    68   0.00000  1.0 1.0
   59    58    64    85   0.00000  1.0 1.0
   60    58    64    68   0.00000  1.0 1.0
   60    58    64    85   0.00000  1.0 1.0
   64    68    71    76   3.62500 -1.0 2.0
   64    68    71    78   3.62500 -1.0 2.0
   64    85   -56    51   0.04150 -1.0 2.0
   64    85    56    57   0.00000  1.0 1.0
   64    85    56    61   0.04150 -1.0 2.0
   68    64    85    79   3.62500 -1.0 2.0
   68    64    85    56   3.62500 -1.0 2.0
   68    71    76    77   3.62500 -1.0 2.0
   68    71   -76    79   3.62500 -1.0 2.0
   68    71    78    81   1.63200 -1.0 2.0
   69    68    71    76   3.62500 -1.0 2.0
   69    68    71    78   3.62500 -1.0 2.0
   71    76    79    80   3.62500 -1.0 2.0
   71    76    79    85   3.62500 -1.0 2.0
   71    78    81    82   0.08050  1.0 3.0
   71    78    81    83   0.08050  1.0 3.0
   71    78    81    84   0.08050  1.0 3.0
   76    71    78    81   1.63200 -1.0 2.0
   76    79   -85    64   3.62500 -1.0 2.0
   76    79    85    56   3.62500 -1.0 2.0
   77    76    79    80   3.62500 -1.0 2.0
   77    76    79    85   3.62500 -1.0 2.0
   79    85    56    51   0.04150 -1.0 2.0
   79    85    56    57   0.00000  1.0 1.0
   79    85    56    61   0.04150 -1.0 2.0
   80    79    85    64   3.62500 -1.0 2.0
   80    79    85    56   3.62500 -1.0 2.0
   85    64    68    69   3.62500 -1.0 2.0
   85    64   -68    71   3.62500 -1.0 2.0
   85    56    61    62   0.43200  1.0 3.0
   85    56    61    63   0.43200  1.0 3.0
   85    56    61    65  -0.03700  1.0 1.0
   85    56    61    65   0.37200 -1.0 2.0
   85    56    61    65  -0.47300  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51   -53    58   0.56750  1.0 1.0
   56    51   -53    58  -0.07550 -1.0 2.0
   56    51   -53    58   0.20000  1.0 3.0
   56    61    65    66   0.15000  1.0 3.0
   56    61    65    67   0.15000  1.0 3.0
   56    61    65    70   0.56750  1.0 1.0
   56    61    65    70  -0.07550 -1.0 2.0
   56    61    65    70   0.20000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    65   0.15000  1.0 3.0
   61    65    70    40   0.56750  1.0 1.0
   61    65    70    40  -0.07550 -1.0 2.0
   61    65    70    40   0.20000  1.0 3.0
   61    65   -70    49   0.56750  1.0 1.0
   61    65   -70    49  -0.07550 -1.0 2.0
   61    65   -70    49   0.20000  1.0 3.0
   61    65    70    72   0.56750  1.0 1.0
   61    65    70    72  -0.07550 -1.0 2.0
   61    65    70    72   0.20000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    70   0.15000  1.0 3.0
   63    61    65    66   0.15000  1.0 3.0
   63    61    65    67   0.15000  1.0 3.0
   63    61    65    70   0.15000  1.0 3.0
   65    70    72    73   0.15000  1.0 3.0
   65    70    72    74   0.15000  1.0 3.0
   65    70    72    75   0.15000  1.0 3.0
   66    65    70    40   0.15000  1.0 3.0
   66    65    70    49   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   67    65    70    40   0.15000  1.0 3.0
   67    65    70    49   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   70    40    41    42   0.15000  1.0 3.0
   70    40    41    43   0.15000  1.0 3.0
   70    40   -41    46   0.56750  1.0 1.0
   70    40   -41    46  -0.07550 -1.0 2.0
   70    40   -41    46   0.20000  1.0 3.0
   70    40    44    45  -0.11600  1.0 1.0
   70    40    44    45  -0.09450 -1.0 2.0
   70    40    44    45   0.21250  1.0 3.0
   70    49    51    52   0.15000  1.0 3.0
   70    49    51    53   0.56750  1.0 1.0
   70    49    51    53  -0.07550 -1.0 2.0
   70    49    51    53   0.20000  1.0 3.0
   70    49   -51    56   0.56750  1.0 1.0
   70    49   -51    56  -0.07550 -1.0 2.0
   70    49   -51    56   0.20000  1.0 3.0
   78    71    76    77   3.62500 -1.0 2.0
   78    71    76    79   3.62500 -1.0 2.0
   44    40    41    42   0.23400  1.0 3.0
   44    40    41    43   0.23400  1.0 3.0
   44    40    41    46   0.86500  1.0 1.0
   44    40    41    46  -0.17500 -1.0 2.0
   44    40    41    46   0.20800  1.0 3.0
   44    40    70    49   0.86500  1.0 1.0
   44    40    70    49  -0.17500 -1.0 2.0
   44    40    70    49   0.20800  1.0 3.0
   44    40    70    65   0.86500  1.0 1.0
   44    40    70    65  -0.17500 -1.0 2.0
   44    40    70    65   0.20800  1.0 3.0
   44    40    70    72   0.86500  1.0 1.0
   44    40    70    72  -0.17500 -1.0 2.0
   44    40    70    72   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
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
   68    85    64    58   4.00000 -1.0 2.0
   71    69    68    64   1.10000 -1.0 2.0
   76    78    71    68   4.00000 -1.0 2.0
   79    77    76    71   1.10000 -1.0 2.0
   85    80    79    76   1.10000 -1.0 2.0
   79    56    85    64   4.00000 -1.0 2.0
END
