* 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     1.02027   103.89001   -36.83189
    3     1 S   H    _H1_     3     1.02093    70.01480    68.28277
    4     1 S   H    _H2_     4     1.02098    43.21177  -139.42124
    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     1.08491   110.56590    58.77998
   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     1.84512    97.41986   161.86666
   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     1.53069   108.15781   -60.02492
   38    37 S   O    _O24    38     1.22833   123.04615   -31.14361
   39    33 S   CT   _C23    51     1.53262   107.77156    60.02558
   40    39 S   HC   _H45    52     1.09932   111.50489   -51.75684
   41    33 S   CT   _C24    55     1.53507   107.65342  -177.43585
   42    41 S   HC   _H46    56     1.09828   107.86827   -62.97830
   43    37 S   CA   _C13    39     1.48490   117.79340   152.89050
   44    39 S   OH   _O25    53     1.42061   111.09241    68.96981
   45    44 S   HO   _H47    54     0.97121   106.77681  -177.64084
   46    41 S   CT   _C20    57     1.53508   110.62795    55.30233
   47    46 S   HC   _H40    58     1.09788   109.87290    56.83613
   48    46 S   HC   _H41    59     1.09659   109.92992   -60.48453
   49    43 S   CA   _C7_    40     1.40155   119.21846   171.38833
   50    49 S   HA   _H31    41     1.08685   121.29814     1.50999
   51    46 S   CT   _C18    60     1.52805   111.67501   178.10938
   52    51 S   HC   _H36    61     1.09902   109.14866    66.72730
   53    51 S   HC   _H37    62     1.09718   109.33334  -177.26147
   54    49 S   CA   _C5_    42     1.39508   120.17903  -178.01209
   55    54 S   HA   _H29    43     1.08635   119.90619   179.88297
   56    51 S   CT   _C22    63     1.53747   111.54976   -55.22245
   57    56 S   HC   _H44    64     1.09690   108.98419   -65.26136
   58    54 S   CA   _C4_    44     1.39324   120.15043     0.23407
   59    58 S   HA   _H28    45     1.08615   119.94817   179.88297
   60    56 S   CA   _C14    65     1.49453   110.15715   177.06855
   61    56 S   CT   _C19    76     1.53793   110.90908    54.83242
   62    61 S   HC   _H38    77     1.09705   110.05695  -176.41089
   63    61 S   HC   _H39    78     1.09817   110.13222    66.52059
   64    58 S   CA   _C6_    46     1.39382   120.04427    -0.39565
   65    64 S   HA   _H30    47     1.08652   118.76230  -179.35079
   66    60 S   CA   _C8_    66     1.39520   119.98506   -90.08964
   67    66 S   HA   _H32    67     1.08671   120.43197     0.05935
   68    41 S   CT   _C21    79     1.53376   110.67339   178.60970
   69    68 S   HC   _H42    80     1.09758   109.88475    60.50310
   70    68 S   HC   _H43    81     1.09739   109.98544   -56.79839
   71    43 S   CA   _C12    48     1.39804   121.28831    -6.94529
   72    66 S   CA   _C10    68     1.39483   120.00221  -179.89721
   73    72 S   HA   _H34    69     1.08669   119.18666   179.96574
   74    71 S   CO4  _C16    49     1.47786   120.55551    -3.11734
   75    74 S   O    _O23    50     1.22571   120.42519   165.88135
   76    72 S   CA   _C15    70     1.39425   120.00674    -0.01978
   77    76 S   Cl   CL27    71     1.72073   120.01596  -179.96574
   78    76 S   CA   _C11    72     1.39579   119.97894    -0.01978
   79    78 S   HA   _H35    73     1.08769   120.75299  -180.00000
   80    60 S   CA   _C9_    74     1.39425   120.02375    89.99378
   81    80 S   HA   _H33    75     1.08699   120.45765    -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  12   5   4   3
  21   2   1   1  15   5  12   6  17   8  10   4   1  12   6   5
   8   4  11   5   4   6   3  14   7   5   3  13   7   4   3   4
   2   8   4   2   1   1   2   6   3   1   1   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    74    39    40    44    41    42    46    68  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    49    71    74    75    39    40    44    45    41    42    46    47    48    51    61    68    69    70  
   35    36  
   36  
    0  
   38    43    49    50    54    64    71    74    39    40    44    41    42    46    68  
   43    49    71    39    41  
   40    44    45    41    42    46    68    43    64    71    74    75  
   44    45    41    71    74    75  
   42    46    47    48    51    52    53    56    61    62    63    68    69    70    43    44    74  
   46    47    48    51    61    68    69    70  
   49    50    54    55    58    64    65    71    74    75  
   45    71    74    75  
   74  
   47    48    51    52    53    56    57    60    61    68    69    70  
   48    51    52    53    56    68  
   51    52    53    56    68  
   50    54    55    58    59    64    71    74  
   54    55    58    71  
   52    53    56    57    60    66    80    61    62    63    68  
   53    56    57    60    61  
   56    57    60    61  
   55    58    59    64    65    71  
   58    59    64  
   57    60    66    67    72    78    80    81    61    62    63    68    69    70  
   60    66    80    61    62    63    68  
   59    64    65    71    74  
   64    65    71  
   66    67    72    73    76    78    79    80    81    61    62    63    68  
   62    63    68    69    70    66    80  
   63    68    69    70  
   68    69    70  
   65    71    74    75  
   71    74  
   67    72    73    76    77    78    80    81  
   72    73    76    80  
   69    70  
   70  
    0  
   74    75  
   73    76    77    78    79    80  
   76    77    78  
   75  
    0  
   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   0.167500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   268.000  1.529
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    49   469.000  1.400
   43    71   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    65   367.000  1.080
   64    71   469.000  1.400
   71    74   310.000  1.470
   74    75   570.000  1.229
   74    39   317.000  1.522
   39    40   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    68   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    60   317.000  1.510
   56    61   268.000  1.529
   60    66   469.000  1.400
   60    80   469.000  1.400
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    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
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   268.000  1.529
   68    69   340.000  1.090
   68    70   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  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    39    74    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    44    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    46    58.35000  112.70000
   33    41    68    58.35000  112.70000
   37    43    49    60.00000  119.52600
   37    43    71    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    49    50    35.00000  120.00000
   43    49    54    63.00000  120.00000
   43    71    64    63.00000  120.00000
   43    71    74    60.00000  119.52600
   49    54    55    35.00000  120.00000
   49    54    58    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    64    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    64    65    35.00000  120.00000
   58    64    71    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    71    74    60.00000  119.52600
   71    43    49    63.00000  120.00000
   71    64    65    35.00000  120.00000
   71    74    75    75.00000  123.78400
   71    74    39    65.00000  115.47100
   74    39    40    35.00000  109.50000
   74    39    44    90.00000  109.61100
   39    33    37    63.00000  111.10000
   39    74    75    80.00000  120.40000
   39    44    45    55.00000  108.50000
   44    39    40    35.00000  109.50000
   41    33    37    63.00000  111.10000
   41    33    39    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    51    58.35000  112.70000
   41    68    61    58.35000  112.70000
   41    68    69    37.50000  110.70000
   41    68    70    37.50000  110.70000
   46    41    42    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    60    70.00000  112.17500
   51    56    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    60    66    70.00000  120.00000
   56    60    80    70.00000  120.00000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    68    58.35000  112.70000
   60    56    57    35.00000  109.50000
   60    66    67    35.00000  120.00000
   60    66    72    63.00000  120.00000
   60    80    78    63.00000  120.00000
   60    80    81    35.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    76    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    76    77    75.00000  120.00000
   72    76    78    63.00000  120.00000
   76    72    73    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    60    66    63.00000  120.00000
   80    78    79    35.00000  120.00000
   61    56    57    37.50000  110.70000
   61    56    60    70.00000  112.17500
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   63    61    62    33.00000  107.80000
   68    41    42    37.50000  110.70000
   68    41    46    58.35000  112.70000
   68    61    62    37.50000  110.70000
   68    61    63    37.50000  110.70000
   70    68    69    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   0.01700  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   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    74   0.56750  1.0 1.0
   29    33    39    74  -0.07550 -1.0 2.0
   29    33    39    74   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   29    33    41    68   0.44750  1.0 1.0
   29    33    41    68  -0.17800 -1.0 2.0
   29    33    41    68   0.20200  1.0 3.0
   33    37    43    49   2.26350  1.0 1.0
   33    37    43    49   0.76750 -1.0 2.0
   33    37    43    49   0.22500  1.0 3.0
   33    37    43    71   2.26350  1.0 1.0
   33    37    43    71   0.76750 -1.0 2.0
   33    37    43    71   0.22500  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    51   0.56750  1.0 1.0
   33    41    46    51  -0.07550 -1.0 2.0
   33    41    46    51   0.20000  1.0 3.0
   33    41    68    61   0.56750  1.0 1.0
   33    41    68    61  -0.07550 -1.0 2.0
   33    41    68    61   0.20000  1.0 3.0
   33    41    68    69   0.15000  1.0 3.0
   33    41    68    70   0.15000  1.0 3.0
   37    33    39    74   0.11950  1.0 1.0
   37    33    39    74   0.20300 -1.0 2.0
   37    33    39    74  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    44  -0.09450  1.0 1.0
   37    33    39    44  -1.12950 -1.0 2.0
   37    33    39    44   0.54000  1.0 3.0
   37    33    41    42  -0.11250  1.0 3.0
   37    33    41    46  -0.95700  1.0 1.0
   37    33    41    46  -0.18200 -1.0 2.0
   37    33    41    46   0.29450  1.0 3.0
   37    33    41    68  -0.95700  1.0 1.0
   37    33    41    68  -0.18200 -1.0 2.0
   37    33    41    68   0.29450  1.0 3.0
   37    43    49    50   3.62500 -1.0 2.0
   37    43    49    54   3.62500 -1.0 2.0
   37    43    71    64   3.62500 -1.0 2.0
   37    43   -71    74   3.62500 -1.0 2.0
   38    37    43    49   1.05000 -1.0 2.0
   38    37    43    71   1.05000 -1.0 2.0
   43    49    54    55   3.62500 -1.0 2.0
   43    49    54    58   3.62500 -1.0 2.0
   43    71    74    75   1.05000 -1.0 2.0
   43    71    74    39   2.26350  1.0 1.0
   43    71    74    39   0.76750 -1.0 2.0
   43    71    74    39   0.22500  1.0 3.0
   49    43    71    64   3.62500 -1.0 2.0
   49    43    71    74   3.62500 -1.0 2.0
   49    54    58    59   3.62500 -1.0 2.0
   49    54   -58    64   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    58   3.62500 -1.0 2.0
   54    58    64    65   3.62500 -1.0 2.0
   54    58    64    71   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    64   3.62500 -1.0 2.0
   58    64   -71    43   3.62500 -1.0 2.0
   58    64    71    74   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   59    58    64    71   3.62500 -1.0 2.0
   64    71    74    75   1.05000 -1.0 2.0
   64    71    74    39   2.26350  1.0 1.0
   64    71    74    39   0.76750 -1.0 2.0
   64    71    74    39   0.22500  1.0 3.0
   65    64    71    43   3.62500 -1.0 2.0
   65    64    71    74   3.62500 -1.0 2.0
   71    43    49    50   3.62500 -1.0 2.0
   71    43   -49    54   3.62500 -1.0 2.0
   71    74   -39    33   0.05850 -1.0 2.0
   71    74   -39    33   0.17250  1.0 3.0
   71    74    39    40   0.00000  1.0 1.0
   71    74    39    44   0.65300  1.0 1.0
   71    74    39    44  -0.03850 -1.0 2.0
   71    74    39    44   0.33900  1.0 3.0
   74    39    44    45   0.91850  1.0 1.0
   74    39    44    45   0.57950  1.0 3.0
   75    74    39    33   0.30150 -1.0 2.0
   75    74    39    40   0.00000  1.0 1.0
   75    74    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   0.15000  1.0 3.0
   39    33    41    46   0.56750  1.0 1.0
   39    33    41    46  -0.07550 -1.0 2.0
   39    33    41    46   0.20000  1.0 3.0
   39    33    41    68   0.56750  1.0 1.0
   39    33    41    68  -0.07550 -1.0 2.0
   39    33    41    68   0.20000  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.05850 -1.0 2.0
   41    33    37    43   0.17250  1.0 3.0
   41    33    39    74  -0.95700  1.0 1.0
   41    33    39    74  -0.18200 -1.0 2.0
   41    33    39    74   0.29450  1.0 3.0
   41    33    39    40   0.15000  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
   41    46    51    52   0.15000  1.0 3.0
   41    46    51    53   0.15000  1.0 3.0
   41    46    51    56   0.56750  1.0 1.0
   41    46    51    56  -0.07550 -1.0 2.0
   41    46    51    56   0.20000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    51   0.15000  1.0 3.0
   42    41    68    61   0.15000  1.0 3.0
   42    41    68    69   0.15000  1.0 3.0
   42    41    68    70   0.15000  1.0 3.0
   46    41    68    61   0.56750  1.0 1.0
   46    41    68    61  -0.07550 -1.0 2.0
   46    41    68    61   0.20000  1.0 3.0
   46    41    68    69   0.15000  1.0 3.0
   46    41    68    70   0.15000  1.0 3.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    60  -0.03700  1.0 1.0
   46    51    56    60   0.37200 -1.0 2.0
   46    51    56    60  -0.47300  1.0 3.0
   46    51   -56    61   0.56750  1.0 1.0
   46    51   -56    61  -0.07550 -1.0 2.0
   46    51   -56    61   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    56   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    56   0.15000  1.0 3.0
   51    56    60    66   0.04150 -1.0 2.0
   51    56    60    80   0.04150 -1.0 2.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56    61    68   0.56750  1.0 1.0
   51    56    61    68  -0.07550 -1.0 2.0
   51    56    61    68   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    60   0.43200  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    60   0.43200  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    60    66    67   3.62500 -1.0 2.0
   56    60    66    72   3.62500 -1.0 2.0
   56    60    80    78   3.62500 -1.0 2.0
   56    60    80    81   3.62500 -1.0 2.0
   56    61   -68    41   0.56750  1.0 1.0
   56    61   -68    41  -0.07550 -1.0 2.0
   56    61   -68    41   0.20000  1.0 3.0
   56    61    68    69   0.15000  1.0 3.0
   56    61    68    70   0.15000  1.0 3.0
   57    56    60    66   0.00000  1.0 1.0
   57    56    60    80   0.00000  1.0 1.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    68   0.15000  1.0 3.0
   60    56    61    62   0.43200  1.0 3.0
   60    56    61    63   0.43200  1.0 3.0
   60    56    61    68  -0.03700  1.0 1.0
   60    56    61    68   0.37200 -1.0 2.0
   60    56    61    68  -0.47300  1.0 3.0
   60    66    72    73   3.62500 -1.0 2.0
   60    66    72    76   3.62500 -1.0 2.0
   66    60    80    78   3.62500 -1.0 2.0
   66    60    80    81   3.62500 -1.0 2.0
   66    72    76    77   3.62500 -1.0 2.0
   66    72   -76    78   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    76   3.62500 -1.0 2.0
   72    76    78    79   3.62500 -1.0 2.0
   72    76    78    80   3.62500 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    78   -80    60   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    60   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    60    66    67   3.62500 -1.0 2.0
   80    60   -66    72   3.62500 -1.0 2.0
   61    56    60    66   0.04150 -1.0 2.0
   61    56    60    80   0.04150 -1.0 2.0
   62    61    68    41   0.15000  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   63    61    68    41   0.15000  1.0 3.0
   63    61    68    69   0.15000  1.0 3.0
   63    61    68    70   0.15000  1.0 3.0
   68    41    46    47   0.15000  1.0 3.0
   68    41    46    48   0.15000  1.0 3.0
   68    41   -46    51   0.56750  1.0 1.0
   68    41   -46    51  -0.07550 -1.0 2.0
   68    41   -46    51   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   49    71    43    37   4.00000 -1.0 2.0
   54    50    49    43   1.10000 -1.0 2.0
   58    55    54    49   1.10000 -1.0 2.0
   64    59    58    54   1.10000 -1.0 2.0
   71    65    64    58   1.10000 -1.0 2.0
   64    74    71    43   4.00000 -1.0 2.0
   71    39    74    75  10.50000 -1.0 2.0
   66    80    60    56   4.00000 -1.0 2.0
   72    67    66    60   1.10000 -1.0 2.0
   76    73    72    66   1.10000 -1.0 2.0
   78    77    76    72   4.00000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   78    81    80    60   1.10000 -1.0 2.0
END
