* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    148    221     427
    1     0 S   NP   _N1_     1    29.18913    96.97659   -20.77366
    2     1 S   H    _HN1     2     1.02946    70.83128    25.02866
    3     1 S   H    _H1_     3     1.02834    49.06272   160.76070
    4     1 S   H    _H2_     4     1.02792    89.28072   -84.63589
    5     1 S   CT   _CA1     5     1.50138   155.79618   122.52198
    6     5 S   HC   _HA1     6     1.09592   105.17481    89.56226
    7     5 S   CO3  _C1_     7     1.53792   112.06040   -30.42108
    8     7 S   O2Z  _O11     8     1.26353   115.07704   -52.65387
    9     7 S   O2Z  _O12     9     1.26225   114.85323   126.01714
   10     5 S   CT   _CB1    10     1.53061   107.34199  -152.85342
   11    10 S   HC   HB11    11     1.09838   109.27979   -51.34055
   12    10 S   HC   HB12    12     1.09809   110.55954    65.21252
   13    10 S   CT   _CG1    13     1.52992   112.57321  -172.33146
   14    13 S   HC   HG11    14     1.09531   110.45940   -65.77351
   15    13 S   HC   HG12    15     1.09665   109.86222    53.39752
   16    13 S   C    _CD1    16     1.51844   112.09427   173.81230
   17    16 S   O    _OE1    17     1.22758   123.19932     6.46727
   18    16 S   N    _N2_    18     1.38609   111.83927  -173.40736
   19    18 S   H    _HN2    19     1.01645   119.04905     0.55285
   20    18 S   CT1  _CA2    20     1.46307   123.39367   177.19621
   21    20 S   HC   _HA2    21     1.09729   109.37507     3.71879
   22    20 S   C    _C2_    22     1.53569   108.90642  -111.86111
   23    22 S   O    _O2_    23     1.23080   122.22146  -149.90425
   24    20 S   CT   _CB2    32     1.53278   111.28777   125.76210
   25    24 S   HC   HB21    33     1.09283   109.24084    57.28020
   26    24 S   HC   HB22    34     1.09515   110.70645   175.28931
   27    22 S   N    _N3_    24     1.38321   113.82447    37.72481
   28    27 S   H    _HN3    25     1.01574   119.56323    -3.75176
   29    24 S   S    _SG2    35     1.83145   111.07547   -65.84188
   30    27 S   CT   _CA3    26     1.45273   123.18889   177.06382
   31    30 S   HC   HA31    27     1.09552   107.56276   -63.43918
   32    30 S   HC   HA32    28     1.09561   107.91702    52.97866
   33    29 S   CT   _C17    36     1.86837   101.42447   141.80593
   34    30 S   CO3  _C3_    29     1.52953   114.11513   174.97313
   35    34 S   O2Z  _O31    30     1.26375   116.08742     0.66146
   36    34 S   O2Z  _O32    31     1.26434   114.40332  -179.31529
   37    33 S   CO4  _C11    37     1.52524   105.97566    60.67806
   38    37 S   O    _O23    38     1.23127   122.29524    56.28122
   39    33 S   CM   _C12    51     1.52700   110.01484   -64.81853
   40    33 S   CT   _C21    79     1.54131   107.49927   173.73265
   41    40 S   HC   _H40    80     1.09543   112.88547    57.93512
   42    40 S   HC   _H41    81     1.09727   112.14908   -62.86496
   43    40 S   HC   _H42    82     1.09733   110.55420   178.49963
   44    37 S   CA   _C9_    39     1.47081   118.66048  -124.30910
   45    39 S   CT   _C22    52     1.54653   115.44931   -60.88103
   46    45 S   HC   _H43    53     1.09491   111.28256    16.03918
   47    45 S   HC   _H44    54     1.09402   108.84591   130.46475
   48    44 S   CA   _C7_    40     1.40831   117.82627  -177.17548
   49    48 S   HA   _H28    41     1.08745   121.09083     0.13122
   50    45 S   CM   _C13    55     1.50790   112.34852  -104.02330
   51    50 S   HC   _H29    56     1.08897   114.38864    53.99384
   52    48 S   CA   _C5_    42     1.39023   120.62257  -179.93744
   53    52 S   HA   _H26    43     1.08561   120.29239  -179.94405
   54    50 S   CM   _C15    57     1.34802   128.27374  -124.50842
   55    52 S   CA   _C4_    44     1.38540   119.34671     0.01978
   56    55 S   HA   _H25    45     1.08608   120.23745  -179.92867
   57    54 S   CT   _C18    58     1.50338   125.05264    -2.70949
   58    57 S   HC   _H31    59     1.09433   110.43551   111.26467
   59    57 S   HC   _H32    60     1.09160   113.48181    -9.79483
   60    57 S   HC   _H33    61     1.09531   110.05142  -129.18994
   61    54 S   CT   _C24    62     1.51821   119.62683   177.28171
   62    61 S   HC   _H47    63     1.09829   110.44011    15.64430
   63    61 S   HC   _H48    64     1.09751   108.78607   130.79861
   64    55 S   CA   _C6_    46     1.39830   119.85264     0.07402
   65    64 S   HA   _H27    47     1.08887   116.68490  -179.87967
   66    61 S   CT   _C23    65     1.53524   114.04018  -107.25005
   67    66 S   HC   _H45    66     1.09572   109.15914  -177.68649
   68    66 S   HC   _H46    67     1.09717   110.10512   -62.77721
   69    44 S   CA   _C8_    48     1.39855   120.65923     3.07593
   70    66 S   CM   _C14    68     1.50464   113.13878    58.49255
   71    70 S   HC   _H30    69     1.08969   114.23283   -87.59897
   72    69 S   CMA  _C10    49     1.51569   123.71671    -0.21398
   73    72 S   OM   _O22    50     1.27005   118.58762   177.06322
   74    70 S   CM   _C16    70     1.34608   127.63059    92.20027
   75    74 S   CT   _C19    71     1.50528   120.43191  -179.93744
   76    75 S   HC   _H34    72     1.09500   110.25450   119.02075
   77    75 S   HC   _H35    73     1.09524   112.42517    -1.02144
   78    75 S   HC   _H36    74     1.09488   110.22413  -121.13553
   79    74 S   CT   _C20    75     1.50185   124.83571    -1.12952
   80    79 S   HC   _H37    76     1.09485   110.10792   116.48559
   81    79 S   HC   _H38    77     1.09531   110.07092  -124.13373
   82    79 S   HC   _H39    78     1.09266   113.34112    -4.35860
  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  11   5   4   3
  16   2   1   1  14   5  15   6   2   1   1  10  10   5   4   8
   4  11   3   6   3  11   5   3   7   3   2   1   8   5   4   4
   2   7   4   3   2  10   3   1   1   8   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    72    39    45    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    48    69    72    73    39    45    46    47    50    40    41    42    43  
   35    36  
   36  
    0  
   38    44    48    49    52    64    69    72    39    45    40    41    42    43  
   44    48    69    39    40  
   45    46    47    50    51    54    40    41    42    43    44    64    69    72    73  
   41    42    43    44    45    72  
   42    43  
   43  
    0  
   48    49    52    53    55    64    65    69    72    73  
   46    47    50    51    54    57    61    69    72    73  
   47    50    51    54    72  
   50    51    54    72  
   49    52    53    55    56    64    69    72  
   52    53    55    69  
   51    54    57    58    59    60    61    62    63    66    72  
   54    57    61  
   53    55    56    64    65    69  
   55    56    64  
   57    58    59    60    61    62    63    66    67    68    70  
   56    64    65    69    72  
   64    65    69  
   58    59    60    61    62    63    66  
   59    60    61  
   60    61  
   61  
   62    63    66    67    68    70    71    74  
   63    66    67    68    70  
   66    67    68    70  
   65    69    72    73  
   69    72  
   67    68    70    71    74    75    79  
   68    70    71    74  
   70    71    74  
   72    73  
   71    74    75    76    77    78    79    80    81    82  
   74    75    79  
   73  
    0  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.180000   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   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   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   73   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    39   317.000  1.510
   33    40   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    48   469.000  1.400
   44    69   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   55    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    72   320.000  1.460
   72    73   745.000  1.250
   72    39   465.000  1.376
   39    45   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    57   317.000  1.510
   54    61   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   317.000  1.510
   70    71   340.000  1.080
   70    74   549.000  1.340
   74    75   317.000  1.510
   74    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    39    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    72    70.00000  124.00000
   33    39    45    65.00000  117.92700
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    48    60.00000  119.52600
   37    44    69    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   44    69    64    63.00000  120.00000
   44    69    72    60.00000  120.93500
   48    52    53    35.00000  120.00000
   48    52    55    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    55    56    35.00000  120.00000
   52    55    64    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    64    65    35.00000  120.00000
   55    64    69    63.00000  120.00000
   64    55    56    35.00000  120.00000
   64    69    72    60.00000  120.93500
   69    44    48    63.00000  120.00000
   69    64    65    35.00000  120.00000
   69    72    73    85.00000  114.86500
   69    72    39    60.00000  123.20500
   72    39    45    70.00000  124.00000
   39    33    37    70.00000  109.06800
   39    72    73    65.00000  137.10300
   39    45    46    35.00000  109.50000
   39    45    47    35.00000  109.50000
   39    45    50    70.00000  110.12100
   45    50    51    35.00000  117.00000
   45    50    54    70.00000  124.00000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    54    57    70.00000  124.00000
   50    54    61    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    66    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    54    57    65.00000  117.92700
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    70    70.00000  112.02700
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    70    71    35.00000  117.00000
   66    70    74    70.00000  124.00000
   68    66    67    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    35.00000  109.50000
   70    74    75    70.00000  124.00000
   70    74    79    70.00000  124.00000
   74    70    71    35.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   40    33    37    63.00000  111.10000
   40    33    39    70.00000  112.02700
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    72   0.42700  1.0 1.0
   29    33    39    72  -0.70350 -1.0 2.0
   29    33    39    72  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    48   2.26350  1.0 1.0
   33    37    44    48   0.76750 -1.0 2.0
   33    37    44    48   0.22500  1.0 3.0
   33    37    44    69   2.26350  1.0 1.0
   33    37    44    69   0.76750 -1.0 2.0
   33    37    44    69   0.22500  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    47   0.34800  1.0 3.0
   33    39    45    50   0.09700  1.0 1.0
   33    39    45    50   0.15600 -1.0 2.0
   33    39    45    50  -0.50800  1.0 3.0
   37    33    39    72  -0.51250  1.0 1.0
   37    33    39    72  -0.88800 -1.0 2.0
   37    33    39    72   0.08850  1.0 3.0
   37    33    39    45   0.17250  1.0 1.0
   37    33    39    45  -0.04100 -1.0 2.0
   37    33    39    45  -0.33850  1.0 3.0
   37    33    40    41  -0.11250  1.0 3.0
   37    33    40    42  -0.11250  1.0 3.0
   37    33    40    43  -0.11250  1.0 3.0
   37    44    48    49   3.62500 -1.0 2.0
   37    44    48    52   3.62500 -1.0 2.0
   37    44    69    64   3.62500 -1.0 2.0
   37    44   -69    72   3.62500 -1.0 2.0
   38    37    44    48   1.05000 -1.0 2.0
   38    37    44    69   1.05000 -1.0 2.0
   44    48    52    53   3.62500 -1.0 2.0
   44    48    52    55   3.62500 -1.0 2.0
   44    69    72    73  -0.01750  1.0 1.0
   44    69    72    73  -0.32000 -1.0 2.0
   44    69    72    73   0.00600  1.0 3.0
   44    69    72    39   0.15800  1.0 1.0
   44    69    72    39   1.85350 -1.0 2.0
   44    69    72    39  -0.48700  1.0 3.0
   48    44    69    64   3.62500 -1.0 2.0
   48    44    69    72   3.62500 -1.0 2.0
   48    52    55    56   3.62500 -1.0 2.0
   48    52   -55    64   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    55    64    65   3.62500 -1.0 2.0
   52    55    64    69   3.62500 -1.0 2.0
   53    52    55    56   3.62500 -1.0 2.0
   53    52    55    64   3.62500 -1.0 2.0
   55    64   -69    44   3.62500 -1.0 2.0
   55    64    69    72   3.62500 -1.0 2.0
   56    55    64    65   3.62500 -1.0 2.0
   56    55    64    69   3.62500 -1.0 2.0
   64    69    72    73  -0.01750  1.0 1.0
   64    69    72    73  -0.32000 -1.0 2.0
   64    69    72    73   0.00600  1.0 3.0
   64    69    72    39   0.15800  1.0 1.0
   64    69    72    39   1.85350 -1.0 2.0
   64    69    72    39  -0.48700  1.0 3.0
   65    64    69    44   3.62500 -1.0 2.0
   65    64    69    72   3.62500 -1.0 2.0
   69    44    48    49   3.62500 -1.0 2.0
   69    44   -48    52   3.62500 -1.0 2.0
   69    72   -39    33   7.00000 -1.0 2.0
   69    72    39    45   7.00000 -1.0 2.0
   72    39    45    46   0.00000  1.0 1.0
   72    39    45    47   0.00000  1.0 1.0
   72    39    45    50  -0.28300  1.0 1.0
   72    39    45    50   0.26700 -1.0 2.0
   72    39    45    50  -0.63300  1.0 3.0
   73    72    39    33   7.00000 -1.0 2.0
   73    72    39    45   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.65300  1.0 1.0
   39    33   -37    44  -0.03850 -1.0 2.0
   39    33   -37    44   0.33900  1.0 3.0
   39    33    40    41   0.15000  1.0 3.0
   39    33    40    42   0.15000  1.0 3.0
   39    33    40    43   0.15000  1.0 3.0
   39    45    50    51   0.00000  1.0 1.0
   39    45    50    54  -0.28300  1.0 1.0
   39    45    50    54   0.26700 -1.0 2.0
   39    45    50    54  -0.63300  1.0 3.0
   45    50    54    57   7.00000 -1.0 2.0
   45    50    54    61   7.00000 -1.0 2.0
   46    45    50    51   0.33100  1.0 3.0
   46    45    50    54   0.00000  1.0 1.0
   47    45    50    51   0.33100  1.0 3.0
   47    45    50    54   0.00000  1.0 1.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    60   0.00000  1.0 1.0
   50    54    61    62   0.00000  1.0 1.0
   50    54    61    63   0.00000  1.0 1.0
   50    54    61    66   0.09850  1.0 1.0
   50    54    61    66   0.15250 -1.0 2.0
   50    54    61    66  -0.50650  1.0 3.0
   51    50    54    57   7.00000 -1.0 2.0
   51    50    54    61   7.00000 -1.0 2.0
   54    61    66    67   0.15000  1.0 3.0
   54    61    66    68   0.15000  1.0 3.0
   54    61    66    70   0.31000  1.0 1.0
   54    61    66    70   0.14700 -1.0 2.0
   54    61    66    70   0.07550  1.0 3.0
   57    54    61    62   0.34800  1.0 3.0
   57    54    61    63   0.34800  1.0 3.0
   57    54    61    66   0.46850  1.0 1.0
   57    54    61    66   0.08550 -1.0 2.0
   57    54    61    66   0.09800  1.0 3.0
   61    54    57    58   0.34800  1.0 3.0
   61    54    57    59   0.34800  1.0 3.0
   61    54    57    60   0.34800  1.0 3.0
   61    66    70    71   0.00000  1.0 1.0
   61    66    70    74   0.09850  1.0 1.0
   61    66    70    74   0.15250 -1.0 2.0
   61    66    70    74  -0.50650  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    70   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    70   0.15000  1.0 3.0
   66    70    74    75   7.00000 -1.0 2.0
   66    70    74    79   7.00000 -1.0 2.0
   67    66    70    71   0.33100  1.0 3.0
   67    66    70    74   0.00000  1.0 1.0
   68    66    70    71   0.33100  1.0 3.0
   68    66    70    74   0.00000  1.0 1.0
   70    74    75    76   0.00000  1.0 1.0
   70    74    75    77   0.00000  1.0 1.0
   70    74    75    78   0.00000  1.0 1.0
   70    74    79    80   0.00000  1.0 1.0
   70    74    79    81   0.00000  1.0 1.0
   70    74    79    82   0.00000  1.0 1.0
   71    70    74    75   7.00000 -1.0 2.0
   71    70    74    79   7.00000 -1.0 2.0
   75    74    79    80   0.34800  1.0 3.0
   75    74    79    81   0.34800  1.0 3.0
   75    74    79    82   0.34800  1.0 3.0
   79    74    75    76   0.34800  1.0 3.0
   79    74    75    77   0.34800  1.0 3.0
   79    74    75    78   0.34800  1.0 3.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    44   0.05850 -1.0 2.0
   40    33    37    44   0.17250  1.0 3.0
   40    33    39    72   0.09850  1.0 1.0
   40    33    39    72   0.15250 -1.0 2.0
   40    33    39    72  -0.50650  1.0 3.0
   40    33    39    45   0.46850  1.0 1.0
   40    33    39    45   0.08550 -1.0 2.0
   40    33    39    45   0.09800  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    44    37    38  10.50000 -1.0 2.0
   48    69    44    37   4.00000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   55    53    52    48   1.10000 -1.0 2.0
   64    56    55    52   1.10000 -1.0 2.0
   69    65    64    55   1.10000 -1.0 2.0
   64    72    69    44   4.00000 -1.0 2.0
   69    73    72    39   1.10000 -1.0 2.0
   33    45    39    72   1.10000 -1.0 2.0
   45    51    50    54  15.00000 -1.0 2.0
   57    61    54    50  15.00000 -1.0 2.0
   66    71    70    74  15.00000 -1.0 2.0
   75    79    74    70  15.00000 -1.0 2.0
END
