* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    152    255     459
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02088    86.03964   -75.29034
    3     1 S   H    _H1_     3     1.02074    94.21336    33.18686
    4     1 S   H    _H2_     4     1.02155    33.46236   151.39913
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C25    36     1.82932    97.78982  -178.13208
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C17    37     1.52313   110.25430   160.00337
   38    37 S   O    _O24    38     1.22791   123.73420   -17.17453
   39    33 S   CT   _C23    51     1.53711   111.92435   -74.97510
   40    39 S   HC   _H45    52     1.08183   109.79090    67.21735
   41    33 S   OH   _O25    80     1.42882   109.36713    44.95325
   42    41 S   HO   _H47    81     0.96983   106.59899    58.32008
   43    37 S   CA   _C13    39     1.48322   116.98907   165.97481
   44    39 S   CT   _C24    53     1.53218   115.74450   -53.62561
   45    44 S   HC   _H46    54     1.09582   107.61348    55.54955
   46    43 S   CA   _C7_    40     1.39978   119.35196   166.20671
   47    46 S   HA   _H31    41     1.08653   121.31512     2.23528
   48    44 S   CT   _C20    55     1.53245   110.48925   173.94945
   49    48 S   HC   _H40    56     1.09715   110.05889    56.76735
   50    48 S   HC   _H41    57     1.09645   109.97645   -60.59709
   51    46 S   CA   _C5_    42     1.39534   120.08516  -178.35218
   52    51 S   HA   _H29    43     1.08574   119.94378  -179.72589
   53    48 S   CT   _C18    58     1.52843   111.53028   178.14554
   54    53 S   HC   _H36    59     1.09782   109.25360    66.60319
   55    53 S   HC   _H37    60     1.09791   109.32961  -177.28221
   56    51 S   CA   _C4_    44     1.39287   120.06051    -0.04423
   57    56 S   HA   _H28    45     1.08643   119.92387   179.56479
   58    53 S   CT   _C22    61     1.53760   111.45114   -55.35772
   59    58 S   HC   _H44    62     1.09638   109.06153   -65.30313
   60    56 S   CA   _C6_    46     1.39445   120.11699    -0.23070
   61    60 S   HA   _H30    47     1.08658   118.66652   179.44433
   62    58 S   CA   _C14    63     1.49518   110.10257   177.08147
   63    58 S   CT   _C19    74     1.53764   110.90182    54.92442
   64    63 S   HC   _H38    75     1.09736   110.04893  -176.46238
   65    63 S   HC   _H39    76     1.09804   110.15259    66.44471
   66    43 S   CA   _C12    48     1.39785   120.82810   -12.69114
   67    62 S   CA   _C8_    64     1.39548   120.00717   -90.11280
   68    67 S   HA   _H32    65     1.08751   120.39459     0.18131
   69    44 S   CT   _C21    77     1.53255   110.46571   -62.79407
   70    69 S   HC   _H42    78     1.09692   109.98843    60.55585
   71    69 S   HC   _H43    79     1.09819   110.06567   -56.86576
   72    66 S   CO4  _C16    49     1.48154   120.96619    -3.25546
   73    72 S   O    _O23    50     1.22764   120.41706   172.41889
   74    67 S   CA   _C10    66     1.39412   120.00631  -179.92867
   75    74 S   HA   _H34    67     1.08716   119.18256   180.00000
   76    74 S   CA   _C15    68     1.39494   120.01531     0.05595
   77    76 S   Cl   CL27    69     1.72033   120.00966   179.97202
   78    76 S   CA   _C11    70     1.39485   119.99993    -0.02798
   79    78 S   HA   _H35    71     1.08660   120.82493  -180.00000
   80    62 S   CA   _C9_    72     1.39411   120.00527    90.03771
   81    80 S   HA   _H33    73     1.08691   120.45608    -0.10835
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   2   1   1  13   5  18   8   4   1  10  17   9   8   4  13
   6   5   6   3  11   5   4   5   3  14   7   4   2  13   7   4
   3   2   8   4   3   1   1   1   1   6   3   5   3   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    72    39    40    44    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    46    66    72    73    39    40    44    45    48    69    41    42  
   35    36  
   36  
    0  
   38    43    46    47    51    60    66    72    39    40    44    41    42  
   43    46    66    39    41  
   40    44    45    48    49    50    53    63    69    70    71    41    42    43    60    66    72    73  
   44    45    48    69    41    66    72    73  
   42    43    44    72  
    0  
   46    47    51    52    56    60    61    66    72    73  
   45    48    49    50    53    54    55    58    63    64    65    69    70    71    66    72    73  
   48    49    50    53    63    69    70    71    72  
   47    51    52    56    57    60    66    72  
   51    52    56    66  
   49    50    53    54    55    58    59    62    63    69    70    71    72  
   50    53    54    55    58    69  
   53    54    55    58    69  
   52    56    57    60    61    66  
   56    57    60  
   54    55    58    59    62    67    80    63    64    65    69  
   55    58    59    62    63  
   58    59    62    63  
   57    60    61    66    72  
   60    61    66  
   59    62    67    68    74    78    80    81    63    64    65    69    70    71  
   62    67    80    63    64    65    69  
   61    66    72    73  
   66    72  
   67    68    74    75    76    78    79    80    81    63    64    65    69  
   64    65    69    70    71    67    80  
   65    69    70    71  
   69    70    71  
   72    73  
   68    74    75    76    77    78    80    81  
   74    75    76    80  
   70    71    72  
   71  
    0  
   73  
    0  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80    81  
   78    79    80  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.432500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   268.000  1.529
   33    41   320.000  1.410
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    46   469.000  1.400
   43    66   469.000  1.400
   46    47   367.000  1.080
   46    51   469.000  1.400
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    72   310.000  1.470
   72    73   570.000  1.229
   72    39   317.000  1.522
   39    40   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    69   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   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    62   317.000  1.510
   58    63   268.000  1.529
   62    67   469.000  1.400
   62    80   469.000  1.400
   67    68   367.000  1.080
   67    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   300.000  1.725
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   41    42   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    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  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    39    72    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    44    58.35000  112.70000
   33    41    42    55.00000  108.50000
   37    43    46    60.00000  119.52600
   37    43    66    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    46    47    35.00000  120.00000
   43    46    51    63.00000  120.00000
   43    66    60    63.00000  120.00000
   43    66    72    60.00000  119.52600
   46    51    52    35.00000  120.00000
   46    51    56    63.00000  120.00000
   51    46    47    35.00000  120.00000
   51    56    57    35.00000  120.00000
   51    56    60    63.00000  120.00000
   56    51    52    35.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    66    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    66    72    60.00000  119.52600
   66    43    46    63.00000  120.00000
   66    60    61    35.00000  120.00000
   66    72    73    75.00000  123.78400
   66    72    39    65.00000  115.47100
   72    39    40    35.00000  109.50000
   72    39    44    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    72    73    80.00000  120.40000
   39    44    45    37.50000  110.70000
   39    44    48    58.35000  112.70000
   39    44    69    58.35000  112.70000
   44    39    40    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    53    58.35000  112.70000
   44    69    63    58.35000  112.70000
   44    69    70    37.50000  110.70000
   44    69    71    37.50000  110.70000
   48    44    45    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    58    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    62    70.00000  112.17500
   53    58    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    62    67    70.00000  120.00000
   58    62    80    70.00000  120.00000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    69    58.35000  112.70000
   62    58    59    35.00000  109.50000
   62    67    68    35.00000  120.00000
   62    67    74    63.00000  120.00000
   62    80    78    63.00000  120.00000
   62    80    81    35.00000  120.00000
   67    74    75    35.00000  120.00000
   67    74    76    63.00000  120.00000
   74    67    68    35.00000  120.00000
   74    76    77    75.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    75.00000  120.00000
   78    80    81    35.00000  120.00000
   80    62    67    63.00000  120.00000
   80    78    79    35.00000  120.00000
   63    58    59    37.50000  110.70000
   63    58    62    70.00000  112.17500
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   65    63    64    33.00000  107.80000
   69    44    45    37.50000  110.70000
   69    44    48    58.35000  112.70000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   71    69    70    33.00000  107.80000
   41    33    37    90.00000  109.61100
   41    33    39    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    39    72   0.56750  1.0 1.0
   29    33    39    72  -0.07550 -1.0 2.0
   29    33    39    72   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    46   2.26350  1.0 1.0
   33    37    43    46   0.76750 -1.0 2.0
   33    37    43    46   0.22500  1.0 3.0
   33    37    43    66   2.26350  1.0 1.0
   33    37    43    66   0.76750 -1.0 2.0
   33    37    43    66   0.22500  1.0 3.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    48   0.56750  1.0 1.0
   33    39    44    48  -0.07550 -1.0 2.0
   33    39    44    48   0.20000  1.0 3.0
   33    39    44    69   0.56750  1.0 1.0
   33    39    44    69  -0.07550 -1.0 2.0
   33    39    44    69   0.20000  1.0 3.0
   37    33    39    72   0.11950  1.0 1.0
   37    33    39    72   0.20300 -1.0 2.0
   37    33    39    72  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    44  -0.95700  1.0 1.0
   37    33    39    44  -0.18200 -1.0 2.0
   37    33    39    44   0.29450  1.0 3.0
   37    33    41    42   0.91850  1.0 1.0
   37    33    41    42   0.57950  1.0 3.0
   37    43    46    47   3.62500 -1.0 2.0
   37    43    46    51   3.62500 -1.0 2.0
   37    43    66    60   3.62500 -1.0 2.0
   37    43   -66    72   3.62500 -1.0 2.0
   38    37    43    46   1.05000 -1.0 2.0
   38    37    43    66   1.05000 -1.0 2.0
   43    46    51    52   3.62500 -1.0 2.0
   43    46    51    56   3.62500 -1.0 2.0
   43    66    72    73   1.05000 -1.0 2.0
   43    66    72    39   2.26350  1.0 1.0
   43    66    72    39   0.76750 -1.0 2.0
   43    66    72    39   0.22500  1.0 3.0
   46    43    66    60   3.62500 -1.0 2.0
   46    43    66    72   3.62500 -1.0 2.0
   46    51    56    57   3.62500 -1.0 2.0
   46    51   -56    60   3.62500 -1.0 2.0
   47    46    51    52   3.62500 -1.0 2.0
   47    46    51    56   3.62500 -1.0 2.0
   51    56    60    61   3.62500 -1.0 2.0
   51    56    60    66   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   52    51    56    60   3.62500 -1.0 2.0
   56    60   -66    43   3.62500 -1.0 2.0
   56    60    66    72   3.62500 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    66   3.62500 -1.0 2.0
   60    66    72    73   1.05000 -1.0 2.0
   60    66    72    39   2.26350  1.0 1.0
   60    66    72    39   0.76750 -1.0 2.0
   60    66    72    39   0.22500  1.0 3.0
   61    60    66    43   3.62500 -1.0 2.0
   61    60    66    72   3.62500 -1.0 2.0
   66    43    46    47   3.62500 -1.0 2.0
   66    43   -46    51   3.62500 -1.0 2.0
   66    72   -39    33   0.05850 -1.0 2.0
   66    72   -39    33   0.17250  1.0 3.0
   66    72    39    40   0.00000  1.0 1.0
   66    72    39    44   0.05850 -1.0 2.0
   66    72    39    44   0.17250  1.0 3.0
   72    39    44    45  -0.11250  1.0 3.0
   72    39    44    48  -0.95700  1.0 1.0
   72    39    44    48  -0.18200 -1.0 2.0
   72    39    44    48   0.29450  1.0 3.0
   72    39    44    69  -0.95700  1.0 1.0
   72    39    44    69  -0.18200 -1.0 2.0
   72    39    44    69   0.29450  1.0 3.0
   73    72    39    33   0.30150 -1.0 2.0
   73    72    39    40   0.00000  1.0 1.0
   73    72    39    44   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.05850 -1.0 2.0
   39    33   -37    43   0.17250  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   39    44    48    49   0.15000  1.0 3.0
   39    44    48    50   0.15000  1.0 3.0
   39    44    48    53   0.56750  1.0 1.0
   39    44    48    53  -0.07550 -1.0 2.0
   39    44    48    53   0.20000  1.0 3.0
   39    44    69    63   0.56750  1.0 1.0
   39    44    69    63  -0.07550 -1.0 2.0
   39    44    69    63   0.20000  1.0 3.0
   39    44    69    70   0.15000  1.0 3.0
   39    44    69    71   0.15000  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    69   0.15000  1.0 3.0
   44    48    53    54   0.15000  1.0 3.0
   44    48    53    55   0.15000  1.0 3.0
   44    48    53    58   0.56750  1.0 1.0
   44    48    53    58  -0.07550 -1.0 2.0
   44    48    53    58   0.20000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   45    44    69    63   0.15000  1.0 3.0
   45    44    69    70   0.15000  1.0 3.0
   45    44    69    71   0.15000  1.0 3.0
   48    44    69    63   0.56750  1.0 1.0
   48    44    69    63  -0.07550 -1.0 2.0
   48    44    69    63   0.20000  1.0 3.0
   48    44    69    70   0.15000  1.0 3.0
   48    44    69    71   0.15000  1.0 3.0
   48    53    58    59   0.15000  1.0 3.0
   48    53    58    62  -0.03700  1.0 1.0
   48    53    58    62   0.37200 -1.0 2.0
   48    53    58    62  -0.47300  1.0 3.0
   48    53   -58    63   0.56750  1.0 1.0
   48    53   -58    63  -0.07550 -1.0 2.0
   48    53   -58    63   0.20000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    58   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    48    53    58   0.15000  1.0 3.0
   53    58    62    67   0.04150 -1.0 2.0
   53    58    62    80   0.04150 -1.0 2.0
   53    58    63    64   0.15000  1.0 3.0
   53    58    63    65   0.15000  1.0 3.0
   53    58    63    69   0.56750  1.0 1.0
   53    58    63    69  -0.07550 -1.0 2.0
   53    58    63    69   0.20000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    62   0.43200  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    62   0.43200  1.0 3.0
   55    53    58    63   0.15000  1.0 3.0
   58    62    67    68   3.62500 -1.0 2.0
   58    62    67    74   3.62500 -1.0 2.0
   58    62    80    78   3.62500 -1.0 2.0
   58    62    80    81   3.62500 -1.0 2.0
   58    63   -69    44   0.56750  1.0 1.0
   58    63   -69    44  -0.07550 -1.0 2.0
   58    63   -69    44   0.20000  1.0 3.0
   58    63    69    70   0.15000  1.0 3.0
   58    63    69    71   0.15000  1.0 3.0
   59    58    62    67   0.00000  1.0 1.0
   59    58    62    80   0.00000  1.0 1.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    69   0.15000  1.0 3.0
   62    58    63    64   0.43200  1.0 3.0
   62    58    63    65   0.43200  1.0 3.0
   62    58    63    69  -0.03700  1.0 1.0
   62    58    63    69   0.37200 -1.0 2.0
   62    58    63    69  -0.47300  1.0 3.0
   62    67    74    75   3.62500 -1.0 2.0
   62    67    74    76   3.62500 -1.0 2.0
   67    62    80    78   3.62500 -1.0 2.0
   67    62    80    81   3.62500 -1.0 2.0
   67    74    76    77   3.62500 -1.0 2.0
   67    74   -76    78   3.62500 -1.0 2.0
   68    67    74    75   3.62500 -1.0 2.0
   68    67    74    76   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76    78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78   -80    62   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   79    78    80    62   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    62    67    68   3.62500 -1.0 2.0
   80    62   -67    74   3.62500 -1.0 2.0
   63    58    62    67   0.04150 -1.0 2.0
   63    58    62    80   0.04150 -1.0 2.0
   64    63    69    44   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   65    63    69    44   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   69    44    48    49   0.15000  1.0 3.0
   69    44    48    50   0.15000  1.0 3.0
   69    44   -48    53   0.56750  1.0 1.0
   69    44   -48    53  -0.07550 -1.0 2.0
   69    44   -48    53   0.20000  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    72  -0.09450  1.0 1.0
   41    33    39    72  -1.12950 -1.0 2.0
   41    33    39    72   0.54000  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   0.86500  1.0 1.0
   41    33    39    44  -0.17500 -1.0 2.0
   41    33    39    44   0.20800  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
   46    66    43    37   4.00000 -1.0 2.0
   51    47    46    43   1.10000 -1.0 2.0
   56    52    51    46   1.10000 -1.0 2.0
   60    57    56    51   1.10000 -1.0 2.0
   66    61    60    56   1.10000 -1.0 2.0
   60    72    66    43   4.00000 -1.0 2.0
   66    39    72    73  10.50000 -1.0 2.0
   67    80    62    58   4.00000 -1.0 2.0
   74    68    67    62   1.10000 -1.0 2.0
   76    75    74    67   1.10000 -1.0 2.0
   78    77    76    74   4.00000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   78    81    80    62   1.10000 -1.0 2.0
END
