* LIGAND DATABASE FILE (OPLS2005)
*
001      81    85    158    265     469
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02039   105.52049   -28.76105
    3     1 S   H    _H1_     3     1.02106    64.89274    74.93810
    4     1 S   H    _H2_     4     1.02097    47.60944  -130.14288
    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     1.08611   110.43906    58.92669
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   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   _C23    36     1.84040   100.59576   159.97835
   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   CT   _C16    37     1.51501   111.62138  -160.03876
   38    37 S   HC   _H34    38     1.09416   112.30228   -59.68273
   39    33 S   CT   _C22    76     1.53467   107.62675    78.48354
   40    39 S   HC   _H43    77     1.09539   112.05190   -57.85775
   41    39 S   HC   _H44    78     1.09652   111.83259    64.62971
   42    39 S   HC   _H45    79     1.09694   110.22586  -178.07176
   43    33 S   OH   _O25    80     1.42986   110.90335   -38.70070
   44    43 S   HO   _H47    81     0.97326   107.36090   -62.98842
   45    37 S   CO4  _C12    39     1.51793   111.47711    62.81731
   46    45 S   O    _O23    40     1.22282   124.61002   -55.11061
   47    37 S   C    _C13    66     1.51486   111.47446   178.17533
   48    47 S   O    _O24    67     1.22124   125.21280    55.37083
   49    45 S   CT1  _C17    41     1.50337   110.71286   130.56050
   50    49 S   HC   _H35    42     1.09811   107.97147    97.08987
   51    49 S   CTH  _C15    43     1.51521   124.94866  -129.59211
   52    51 S   HC   _H33    44     1.09719   110.43466   -91.51404
   53    51 S   C5M  _C10    45     1.49873   117.73913    32.80071
   54    51 S   CT   _C18    62     1.59515    99.96502   152.88815
   55    54 S   HC   _H36    63     1.10190   105.73932    76.83549
   56    53 S   C5N  _C7_    46     1.37735   134.31955   -48.51388
   57    56 S   HA   _H30    47     1.07974   132.27256     1.63075
   58    54 S   CP1  _C19    64     1.58350   104.42260   -35.71648
   59    56 S   NA   _N21    48     1.38025   108.17741  -178.20594
   60    59 S   H    _H46    49     1.01110   124.68808  -179.69739
   61    49 S   N    _N22    65     1.44822   100.09147   -14.10642
   62    58 S   CT   _C20    68     1.53563   110.18881   135.89432
   63    62 S   HC   _H37    69     1.08584   109.35953  -179.96574
   64    62 S   HC   _H38    70     1.08551   109.40154    60.02188
   65    62 S   HC   _H39    71     1.08627   109.34874   -60.01918
   66    58 S   CT   _C21    72     1.53685   115.05274  -100.90613
   67    66 S   HC   _H40    73     1.08558   109.36322   179.94065
   68    66 S   HC   _H41    74     1.08623   109.30881    59.99096
   69    66 S   HC   _H42    75     1.08561   109.34424   -59.97877
   70    59 S   CN   _C11    50     1.37576   110.27843     1.63614
   71    70 S   CA   _C6_    51     1.39559   132.74129   178.93357
   72    71 S   HA   _H29    52     1.08438   121.91692     0.32506
   73    71 S   CA   _C4_    53     1.40519   116.77041  -179.25375
   74    73 S   HA   _H27    54     1.08738   119.04761   179.58693
   75    73 S   CA   _C5_    55     1.40282   121.87209    -0.22985
   76    75 S   HA   _H28    56     1.08618   119.36844   179.73312
   77    75 S   CA   _C9_    57     1.39823   120.52414    -0.55813
   78    53 S   CR3  _C8_    58     1.41459   119.55444   135.52299
   79    77 S   CT   _C14    59     1.50326   124.86355   178.89288
   80    79 S   HC   _H31    60     1.09746   107.12697   -79.68274
   81    79 S   HC   _H32    61     1.09478   110.81775    36.79003
  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
  14   2   1   1  16   8   7   3   2   1   3   1  11   5   9   3
  13   6  17   8  14  18   8   7   4  13   7   3   9   8   3   2
   1   4   2   1   1   8   7   4   6   3   6   3   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    47    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    49    61    47    48    39    40    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    49    50    51    58    61    47    48    39    40    41    42    43    44  
   45    46    49    61    47    48    39    43  
   40    41    42    43    44    45    47  
   41    42    43  
   42    43  
   43  
   44    45    47  
    0  
   46    49    50    51    52    53    54    58    61    47    48  
   49    50    51    61    47  
   48    62    66    49    50    51    54    58    61  
   49    58    61  
   50    51    52    53    56    78    79    54    55    58    61    62    66  
   51    52    53    54    58    61  
   52    53    56    57    59    70    77    78    79    80    81    54    55    58    61    62    66  
   53    56    78    79    54    55    58    61  
   56    57    59    60    70    71    75    77    78    79    54    55    58    61  
   55    58    61    62    63    64    65    66    67    68    69    56    75    77    78    79    80    81  
   58    61    62    66    77    79    80    81  
   57    59    60    70    71    77    78  
   59    60    70    78  
   61    62    63    64    65    66    67    68    69    77    79    80    81  
   60    70    71    72    73    77    78  
   70    71    78  
   62    63    64    65    66    67    68    69    79  
   63    64    65    66    67    68    69    79  
   64    65    66  
   65    66  
   66  
   67    68    69    79  
   68    69  
   69  
    0  
   71    72    73    74    75    77    78    79  
   72    73    74    75    76    77    78  
   73    74    75    78  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81  
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.5500   0.0700   0.075000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.070000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.2500   0.1700  -0.570000   1.8650   1.6500   0.001000000  -0.511443539
   60   0.5000   0.0300   0.420000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.130000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.055000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660  -0.005000   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
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   268.000  1.529
   33    39   268.000  1.529
   33    43   320.000  1.410
   37    38   340.000  1.090
   37    45   317.000  1.522
   37    47   317.000  1.522
   45    46   570.000  1.229
   45    49   255.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    61   337.000  1.449
   51    52   340.000  1.090
   51    53   317.000  1.495
   51    54   268.000  1.529
   53    56   546.000  1.352
   53    78   440.000  1.409
   56    57   367.000  1.080
   56    59   427.000  1.381
   59    60   434.000  1.010
   59    70   450.000  1.364
   70    71   485.000  1.374
   70    78   480.000  1.377
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   490.000  1.398
   77    79   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    54   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   58    61   337.000  1.449
   58    62   268.000  1.529
   58    66   268.000  1.529
   61    47   490.000  1.335
   47    48   570.000  1.229
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   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  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    45    63.00000  111.10000
   33    37    47    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    55.00000  108.50000
   37    45    46    80.00000  120.40000
   37    45    49    65.00000  117.09000
   37    47    61    70.00000  116.60000
   37    47    48    80.00000  120.40000
   45    37    38    35.00000  109.50000
   45    49    50    45.00000  110.09800
   45    49    51    63.00000  111.10000
   45    49    61    80.00000  110.29000
   49    45    46    75.00000  123.42600
   49    51    52    37.50000  110.70000
   49    51    53    63.00000  115.60000
   49    51    54    58.35000  112.70000
   49    61    58    50.00000  118.00000
   49    61    47    50.00000  121.90000
   51    49    50    37.50000  110.70000
   51    53    56    70.00000  125.00000
   51    53    78    80.00000  105.07000
   51    54    79    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    58    58.35000  112.70000
   53    51    52    35.00000  109.50000
   53    56    57    35.00000  120.00000
   53    56    59    70.00000  108.70000
   53    78    70    70.00000  117.96600
   53    78    77    60.00000  130.80000
   56    59    60    35.00000  120.00000
   56    59    70    70.00000  114.00000
   59    56    57    35.00000  121.60000
   59    70    71    65.00000  126.13900
   59    70    78    90.00000  107.25500
   70    59    60    35.00000  121.00000
   70    71    72    40.00000  120.02000
   70    71    73    65.00000  119.97700
   70    78    77    70.00000  117.96600
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    70.00000  112.88000
   75    77    79    70.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    54    70.00000  112.17500
   78    53    56    75.00000  116.72000
   78    70    71    70.00000  112.88000
   79    77    78    80.00000  105.07000
   79    54    55    37.50000  110.70000
   79    54    58    58.35000  112.70000
   81    79    80    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.17500
   54    79    80    37.50000  110.70000
   54    79    81    37.50000  110.70000
   54    58    61    80.00000  109.70000
   54    58    62    58.35000  112.70000
   54    58    66    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    61    47    50.00000  121.90000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    69    37.50000  110.70000
   61    49    50    35.00000  109.50000
   61    49    51    80.00000  109.70000
   61    47    48    80.00000  122.90000
   47    37    38    35.00000  109.50000
   47    37    45    70.00000  107.85200
   62    58    61    80.00000  109.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    58    61    80.00000  109.70000
   66    58    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    50.00000  109.50000
   43    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    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   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   0.15000  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.35600  1.0 1.0
   29    33    43    44  -0.10750 -1.0 2.0
   29    33    43    44  -0.54400  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.60050  1.0 1.0
   33    37    45    49   0.05600 -1.0 2.0
   33    37    45    49   0.26150  1.0 3.0
   33    37    47    61   1.39750  1.0 1.0
   33    37    47    61  -0.07950 -1.0 2.0
   33    37    47    61  -0.18750  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44  -0.11600  1.0 1.0
   37    33    43    44  -0.09450 -1.0 2.0
   37    33    43    44   0.21250  1.0 3.0
   37    45    49    50   0.00000  1.0 1.0
   37    45    49    51   0.60050  1.0 1.0
   37    45    49    51   0.05600 -1.0 2.0
   37    45    49    51   0.26150  1.0 3.0
   37    45   -49    61   0.65300  1.0 1.0
   37    45   -49    61  -0.03850 -1.0 2.0
   37    45   -49    61   0.33900  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   38    37    47    61   0.00000  1.0 1.0
   38    37    47    48   0.00000  1.0 1.0
   45    37   -47    61   0.00000  1.0 1.0
   45    37    47    48   0.30150 -1.0 2.0
   45    49    51    52  -0.03800  1.0 3.0
   45    49    51    53  -0.52900  1.0 1.0
   45    49    51    53  -0.31250 -1.0 2.0
   45    49    51    54  -0.84850  1.0 1.0
   45    49    51    54  -0.22800 -1.0 2.0
   45    49    51    54   0.29250  1.0 3.0
   45    49    61    58  -0.86850  1.0 1.0
   45    49    61    58   0.62550 -1.0 2.0
   45    49    61    58  -1.75050  1.0 3.0
   45    49   -61    47  -0.29800  1.0 1.0
   45    49   -61    47   0.13950 -1.0 2.0
   45    49   -61    47  -2.45650  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.00000  1.0 1.0
   46    45    49    61   0.00000  1.0 1.0
   49    51    53    56  -0.35700  1.0 1.0
   49    51    53    78   0.00000  1.0 1.0
   49    51    54    79   0.56750  1.0 1.0
   49    51    54    79  -0.07550 -1.0 2.0
   49    51    54    79   0.20000  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51   -54    58   0.65000  1.0 1.0
   49    51   -54    58  -0.02500 -1.0 2.0
   49    51   -54    58   0.10000  1.0 3.0
   49    61   -47    37   1.15000  1.0 1.0
   49    61   -47    37   3.04450 -1.0 2.0
   49    61    47    48   3.04450 -1.0 2.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.23100  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    61    58   0.00000  1.0 1.0
   50    49    61    47   0.00000  1.0 1.0
   51    49   -61    58   2.37650  1.0 1.0
   51    49   -61    58  -0.36700 -1.0 2.0
   51    49    61    47   0.25950  1.0 1.0
   51    49    61    47   0.43850 -1.0 2.0
   51    49    61    47   2.61650  1.0 3.0
   51    53    56    57   6.52500 -1.0 2.0
   51    53    56    59   6.52500 -1.0 2.0
   51    53    78    70   3.62500 -1.0 2.0
   51    53    78    77   3.62500 -1.0 2.0
   51    54   -58    61   0.42250  1.0 1.0
   51    54   -58    61  -0.48100 -1.0 2.0
   51    54   -58    61   0.35650  1.0 3.0
   51    54    58    62   0.56750  1.0 1.0
   51    54    58    62  -0.07550 -1.0 2.0
   51    54    58    62   0.20000  1.0 3.0
   51    54    58    66   0.56750  1.0 1.0
   51    54    58    66  -0.07550 -1.0 2.0
   51    54    58    66   0.20000  1.0 3.0
   52    51    53    56  -0.24000  1.0 3.0
   52    51    53    78   0.00000  1.0 1.0
   52    51    54    79   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    58   0.15000  1.0 3.0
   53    51    54    79  -0.03700  1.0 1.0
   53    51    54    79   0.37200 -1.0 2.0
   53    51    54    79  -0.47300  1.0 3.0
   53    51    54    55   0.43200  1.0 3.0
   53    51    54    58  -0.03700  1.0 1.0
   53    51    54    58   0.37200 -1.0 2.0
   53    51    54    58  -0.47300  1.0 3.0
   53    56    59    60   1.50000 -1.0 2.0
   53    56   -59    70   3.62500 -1.0 2.0
   56    53   -78    70   3.62500 -1.0 2.0
   56    53    78    77   3.62500 -1.0 2.0
   56    59    70    71   3.62500 -1.0 2.0
   56    59   -70    78   3.62500 -1.0 2.0
   57    56    59    60   1.50000 -1.0 2.0
   57    56    59    70   3.62500 -1.0 2.0
   59    70    71    72   3.62500 -1.0 2.0
   59    70    71    73   3.62500 -1.0 2.0
   59    70   -78    53   3.62500 -1.0 2.0
   59    70    78    77   3.62500 -1.0 2.0
   60    59    70    71   2.00000 -1.0 2.0
   60    59    70    78   2.00000 -1.0 2.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   71    70    78    53   3.62500 -1.0 2.0
   71    70    78    77   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73   -75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    78    53   3.62500 -1.0 2.0
   75    77   -78    70   3.62500 -1.0 2.0
   75    77    79    80   0.00000  1.0 1.0
   75    77    79    81   0.00000  1.0 1.0
   75    77    79    54   0.04150 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -54    51  -0.03700  1.0 1.0
   77    79   -54    51   0.37200 -1.0 2.0
   77    79   -54    51  -0.47300  1.0 3.0
   77    79    54    55   0.43200  1.0 3.0
   77    79    54    58  -0.03700  1.0 1.0
   77    79    54    58   0.37200 -1.0 2.0
   77    79    54    58  -0.47300  1.0 3.0
   78    53    56    57   3.62500 -1.0 2.0
   78    53   -56    59   3.62500 -1.0 2.0
   78    70    71    72   3.62500 -1.0 2.0
   78    70   -71    73   3.62500 -1.0 2.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    54   0.04150 -1.0 2.0
   79    77   -78    53   3.62500 -1.0 2.0
   79    77    78    70   3.62500 -1.0 2.0
   79    54    58    61   0.42250  1.0 1.0
   79    54    58    61  -0.48100 -1.0 2.0
   79    54    58    61   0.35650  1.0 3.0
   79    54    58    62   0.56750  1.0 1.0
   79    54    58    62  -0.07550 -1.0 2.0
   79    54    58    62   0.20000  1.0 3.0
   79    54    58    66   0.56750  1.0 1.0
   79    54    58    66  -0.07550 -1.0 2.0
   79    54    58    66   0.20000  1.0 3.0
   80    79    54    51   0.15000  1.0 3.0
   80    79    54    55   0.15000  1.0 3.0
   80    79    54    58   0.15000  1.0 3.0
   81    79    54    51   0.15000  1.0 3.0
   81    79    54    55   0.15000  1.0 3.0
   81    79    54    58   0.15000  1.0 3.0
   54    51    53    56   0.04150 -1.0 2.0
   54    51   -53    78   0.04150 -1.0 2.0
   54    58   -61    49   1.42950  1.0 1.0
   54    58   -61    49   1.02900 -1.0 2.0
   54    58   -61    49  -5.63300  1.0 3.0
   54    58    61    47   0.25950  1.0 1.0
   54    58    61    47   0.43850 -1.0 2.0
   54    58    61    47   2.61650  1.0 3.0
   54    58    62    63   0.15000  1.0 3.0
   54    58    62    64   0.15000  1.0 3.0
   54    58    62    65   0.15000  1.0 3.0
   54    58    66    67   0.15000  1.0 3.0
   54    58    66    68   0.15000  1.0 3.0
   54    58    66    69   0.15000  1.0 3.0
   55    54    58    61   0.23200  1.0 3.0
   55    54    58    62   0.15000  1.0 3.0
   55    54    58    66   0.15000  1.0 3.0
   58    61    47    37   1.15000  1.0 1.0
   58    61    47    37   3.04450 -1.0 2.0
   58    61    47    48   3.04450 -1.0 2.0
   61    49    51    52   0.23200  1.0 3.0
   61    49    51    53  -0.64700  1.0 1.0
   61    49    51    53   0.28100 -1.0 2.0
   61    49    51    53   0.04700  1.0 3.0
   61    49   -51    54   0.42250  1.0 1.0
   61    49   -51    54  -0.48100 -1.0 2.0
   61    49   -51    54   0.35650  1.0 3.0
   61    58    62    63   0.23200  1.0 3.0
   61    58    62    64   0.23200  1.0 3.0
   61    58    62    65   0.23200  1.0 3.0
   61    58    66    67   0.23200  1.0 3.0
   61    58    66    68   0.23200  1.0 3.0
   61    58    66    69   0.23200  1.0 3.0
   47    37    45    46   0.30150 -1.0 2.0
   47    37   -45    49   0.65300  1.0 1.0
   47    37   -45    49  -0.03850 -1.0 2.0
   47    37   -45    49   0.33900  1.0 3.0
   62    58    61    49   1.42950  1.0 1.0
   62    58    61    49   1.02900 -1.0 2.0
   62    58    61    49  -5.63300  1.0 3.0
   62    58    61    47   0.25950  1.0 1.0
   62    58    61    47   0.43850 -1.0 2.0
   62    58    61    47   2.61650  1.0 3.0
   62    58    66    67   0.15000  1.0 3.0
   62    58    66    68   0.15000  1.0 3.0
   62    58    66    69   0.15000  1.0 3.0
   66    58    61    49   1.42950  1.0 1.0
   66    58    61    49   1.02900 -1.0 2.0
   66    58    61    49  -5.63300  1.0 3.0
   66    58    61    47   0.25950  1.0 1.0
   66    58    61    47   0.43850 -1.0 2.0
   66    58    61    47   2.61650  1.0 3.0
   66    58    62    63   0.15000  1.0 3.0
   66    58    62    64   0.15000  1.0 3.0
   66    58    62    65   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    37    47  -0.95700  1.0 1.0
   39    33    37    47  -0.18200 -1.0 2.0
   39    33    37    47   0.29450  1.0 3.0
   39    33    43    44  -0.11600  1.0 1.0
   39    33    43    44  -0.09450 -1.0 2.0
   39    33    43    44   0.21250  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    45  -0.09450  1.0 1.0
   43    33    37    45  -1.12950 -1.0 2.0
   43    33    37    45   0.54000  1.0 3.0
   43    33    37    47  -0.09450  1.0 1.0
   43    33    37    47  -1.12950 -1.0 2.0
   43    33    37    47   0.54000  1.0 3.0
   43    33    39    40   0.23400  1.0 3.0
   43    33    39    41   0.23400  1.0 3.0
   43    33    39    42   0.23400  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
   37    49    45    46  10.50000 -1.0 2.0
   56    78    53    51   4.00000 -1.0 2.0
   59    57    56    53   1.10000 -1.0 2.0
   60    56    59    70   1.00000 -1.0 2.0
   71    78    70    59   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   78    79    77    75   4.00000 -1.0 2.0
   70    77    78    53   4.00000 -1.0 2.0
   58    47    61    49   1.00000 -1.0 2.0
   37    61    47    48  10.50000 -1.0 2.0
END
