* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    170    264     502
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02075   101.28351    17.02897
    3     1 S   H    _H1_     3     1.02043    38.88993   122.92954
    4     1 S   H    _H2_     4     1.02101    75.64117   -89.58632
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.67486    58.63995
   26    24 S   HC   HB22    34     1.08491   110.07674   179.23179
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.92584    95.27779  -158.11736
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   _C11    37     1.55014   102.05667   -39.97966
   38    37 S   HC   _H13    38     1.08900   111.82428   173.74787
   39    37 S   HC   _H14    39     1.09137   111.51518    53.01063
   40    33 S   CT   _C13    71     1.54267   103.21127    79.33233
   41    40 S   HC   _H4_    72     1.08682   110.29757   -43.81683
   42    37 S   CO4  _C10    40     1.52703   112.01756   -68.94144
   43    42 S   O    _O33    41     1.23109   121.04505   165.46413
   44    40 S   NP   _N4_    73     1.54592   111.99658    73.43915
   45    44 S   H    _H3_    74     0.99913   105.62232   124.59110
   46    42 S   CM   _C9_    42     1.49469   118.86892   -15.01339
   47    44 S   CT   _C5_    75     1.50837   117.44709     6.54467
   48    47 S   HC   _H8_    76     1.09382   108.06666   -80.23932
   49    47 S   HC   _H9_    77     1.08876   107.91625   165.16819
   50    44 S   CT   _C4_    81     1.51083   112.10296  -124.03605
   51    50 S   HC   _H5_    82     1.09136   107.85872    66.98419
   52    50 S   HC   _H6_    83     1.09258   107.79221  -173.05708
   53    50 S   HC   _H7_    84     1.09124   107.83781   -53.06170
   54    46 S   CM   _C8_    43     1.34703   119.34406   -11.53328
   55    54 S   HC   _H12    44     1.08134   118.04770   174.34220
   56    60 S   CT   _C6_    78     1.55870   111.68427   -70.95678
   57    56 S   HC   _H10    79     1.11133   109.59120  -120.04867
   58    56 S   HC   _H11    80     1.10859   111.16231   127.40403
   59    46 S   OS   _O37    85     1.37614   117.29435   168.74556
   60    33 S   CT   _C7_    45     1.57585   115.59278  -157.31781
   61    59 S   CT   _C24    86     1.40782   112.75906   -90.30062
   62    61 S   HC   _H27    87     1.09288   109.52423  -180.00000
   63    61 S   HC   _H28    88     1.09292   109.54917    59.24061
   64    61 S   HC   _H29    89     1.09258   108.99868   -60.42117
   65    60 S   CA   _C17    46     1.58313   114.76403   167.63290
   66    65 S   CA   _C16    47     1.41464   124.70419    48.24691
   67    66 S   CA   _C21    48     1.41826   119.70327  -177.58930
   68    67 S   HA   _H19    49     1.08554   120.14648  -179.69036
   69    66 S   CT   _C15    65     1.50550   125.03028     8.95721
   70    69 S   HC   _H17    66     1.07205   109.12835    67.67469
   71    69 S   HC   _H18    67     1.08103   108.88979  -176.38827
   72    67 S   CA   _C20    50     1.38885   122.13369    -1.56097
   73    69 S   CT   _C14    68     1.51861   116.69668   -58.64435
   74    73 S   HC   _H15    69     1.09412   107.16155  -167.92070
   75    73 S   HC   _H16    70     1.08994   109.79533   -54.64498
   76    72 S   CA   _C19    51     1.37894   119.01767    -1.62245
   77    72 S   OS   _O34    60     1.36077   119.82463  -179.53145
   78    65 S   CA   _C18    52     1.42244   119.16309  -133.76636
   79    76 S   OH   _O35    58     1.36505   119.56628  -176.99378
   80    79 S   HO   _H23    59     0.96955   110.17838   179.98022
   81    77 S   CT   _C22    61     1.42687   117.19108   -92.17958
   82    81 S   HC   _H20    62     1.09243   109.56203  -179.98022
   83    81 S   HC   _H21    63     1.09314   109.51632    59.24738
   84    81 S   HC   _H22    64     1.09270   108.99418   -60.39749
   85    78 S   OS   _O36    53     1.37073   123.78130   -10.42630
   86    85 S   CT   _C23    54     1.42192   116.49464   -90.05727
   87    86 S   HC   _H24    55     1.09333   109.47974   179.98022
   88    86 S   HC   _H25    56     1.09238   109.44288    59.27583
   89    86 S   HC   _H26    57     1.09217   109.00482   -60.37536
  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  13   5   4   3
  25   2   1   1  14   6   5  22   9   7   3  16   9  10  13   6
   5   5   2   1   1  10   4   6   3   2   5   8   3   2   1   1
  13  13  11   4   7   4   3  10   2   1   1   7   6   7   2   1
   3   2   1   1   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    60    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    54    60    65    73    40    41    44    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    46    54    55    60    65    66    78    69    73    74    75    40    41    44    45    47    56    57    58    50  
   35    36  
   36  
    0  
   38    39    42    43    46    54    60    65    73    40    41    44    56    59  
   39    42    43    46    60    40  
   42    43    46    60    40  
   41    44    45    47    48    49    56    50    51    52    53    42    54    60    65    66    69    70    71    73    74    75  
   44    45    47    50    60    69    73    74    75  
   43    46    54    55    60    59    61  
   46    54    59  
   45    47    48    49    56    57    58    50    51    52    53    60    69    73    74    75  
   47    48    49    56    50    51    52    53    73  
   54    55    60    65    56    59    61    62    63    64  
   48    49    56    57    58    50    51    52    53    54    60    65    73  
   49    56    57    58    50    60  
   56    57    58    50    60  
   51    52    53    56    73  
   52    53  
   53  
    0  
   55    60    65    66    78    56    57    58    59    61  
   60    65    56    59  
   57    58    60    65    66    78  
   58    60    65  
   60    65  
   61    62    63    64    60  
   65    66    67    76    78    85    69    73  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    72    76    78    85    86    79    69    70    71    73  
   67    68    72    76    78    85    77    69    70    71    73    74    75  
   68    72    76    78    79    77    81    69    70    71    73  
   72    76    77    69  
   70    71    73    74    75    72    78  
   71    73    74    75  
   73    74    75  
   76    78    85    79    80    77    81    82    83    84  
   74    75  
   75  
    0  
   78    85    86    79    80    77    81  
   81    82    83    84    78    79  
   85    86    87    88    89    79    80  
   80    85  
    0  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   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    60   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    46   320.000  1.462
   46    54   549.000  1.340
   46    59   440.000  1.360
   54    55   340.000  1.080
   54    60   317.000  1.510
   60    65   317.000  1.510
   60    56   268.000  1.529
   65    66   469.000  1.400
   65    78   469.000  1.400
   66    67   469.000  1.400
   66    69   317.000  1.510
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    76   469.000  1.400
   72    77   450.000  1.364
   76    78   469.000  1.400
   76    79   450.000  1.364
   78    85   450.000  1.364
   85    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   79    80   553.000  0.945
   77    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    47   367.000  1.471
   44    50   367.000  1.471
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   59    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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  111.63000
   29    33    60    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    60    54    70.00000  112.02700
   33    60    65    70.00000  112.17500
   33    60    56    58.35000  112.70000
   33    40    73    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   37    42    43    80.00000  120.40000
   37    42    46    65.00000  118.62400
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    46    54    65.00000  118.96000
   42    46    59    85.00000  116.28000
   46    42    43    80.00000  123.72100
   46    54    55    35.00000  120.00000
   46    54    60    70.00000  124.00000
   46    59    61    90.00000  111.18400
   54    60    65    70.00000  112.99600
   54    60    56    70.00000  112.02700
   60    33    37    58.35000  112.70000
   60    54    55    35.00000  117.00000
   60    65    66    70.00000  120.00000
   60    65    78    70.00000  120.00000
   60    56    47    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   65    66    67    63.00000  120.00000
   65    66    69    70.00000  120.00000
   65    78    76    63.00000  120.00000
   65    78    85    70.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    72    63.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    73    70.00000  112.17500
   67    72    76    63.00000  120.00000
   67    72    77    70.00000  120.00000
   72    67    68    35.00000  120.00000
   72    76    78    63.00000  120.00000
   72    76    79    70.00000  120.00000
   72    77    81    75.00000  111.00000
   76    78    85    70.00000  120.00000
   76    79    80    35.00000  113.00000
   78    65    66    63.00000  120.00000
   78    85    86    75.00000  111.00000
   85    86    87    35.00000  109.50000
   85    86    88    35.00000  109.50000
   85    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   79    76    78    70.00000  120.00000
   77    72    76    70.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   69    66    67    70.00000  120.00000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    40    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    40    41    37.50000  110.70000
   73    40    44    80.00000  111.20000
   75    73    74    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    60    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    73    75    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    47    75.00000  113.01200
   40    44    50    75.00000  113.01200
   44    40    41    35.00000  109.50000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    56    80.00000  111.20000
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   49    47    48    33.00000  107.80000
   56    60    65    70.00000  112.17500
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   58    56    57    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    47    75.00000  113.01200
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   59    46    54    80.00000  120.01400
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    60    54   0.56750  1.0 1.0
   29    33    60    54  -0.07550 -1.0 2.0
   29    33    60    54   0.20000  1.0 3.0
   29    33    60    65   0.56750  1.0 1.0
   29    33    60    65  -0.07550 -1.0 2.0
   29    33    60    65   0.20000  1.0 3.0
   29    33    60    56   0.44750  1.0 1.0
   29    33    60    56  -0.17800 -1.0 2.0
   29    33    60    56   0.20200  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    42    43   0.30150 -1.0 2.0
   33    37    42    46   0.65300  1.0 1.0
   33    37    42    46  -0.03850 -1.0 2.0
   33    37    42    46   0.33900  1.0 3.0
   33    60    65    66   0.04150 -1.0 2.0
   33    60    65    78   0.04150 -1.0 2.0
   33    60    56    47   0.56750  1.0 1.0
   33    60    56    47  -0.07550 -1.0 2.0
   33    60    56    47   0.20000  1.0 3.0
   33    60    56    57   0.15000  1.0 3.0
   33    60    56    58   0.15000  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40   -44    47   0.47100  1.0 1.0
   33    40    44    50   0.47100  1.0 1.0
   37    33    60    54   0.34400  1.0 1.0
   37    33    60    54   0.09450 -1.0 2.0
   37    33    60    54   0.11100  1.0 3.0
   37    33    60    65  -0.03700  1.0 1.0
   37    33    60    65   0.37200 -1.0 2.0
   37    33    60    65  -0.47300  1.0 3.0
   37    33    60    56   0.56750  1.0 1.0
   37    33    60    56  -0.07550 -1.0 2.0
   37    33    60    56   0.20000  1.0 3.0
   37    33    40    73   0.56750  1.0 1.0
   37    33    40    73  -0.07550 -1.0 2.0
   37    33    40    73   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44   1.36600  1.0 1.0
   37    33    40    44  -0.11450 -1.0 2.0
   37    33    40    44   0.24250  1.0 3.0
   37    42   -46    54  -0.33500  1.0 1.0
   37    42   -46    54   1.06600 -1.0 2.0
   37    42   -46    54  -0.14000  1.0 3.0
   37    42    46    59   0.32450 -1.0 2.0
   37    42    46    59   0.17400  1.0 3.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    46   0.00000  1.0 1.0
   39    37    42    43   0.00000  1.0 1.0
   39    37    42    46   0.00000  1.0 1.0
   42    46    54    55   7.00000 -1.0 2.0
   42    46    54    60   7.00000 -1.0 2.0
   42    46    59    61   0.15100 -1.0 2.0
   43    42    46    54   1.00000 -1.0 2.0
   43    42    46    59  -0.11900  1.0 1.0
   43    42    46    59   0.76850 -1.0 2.0
   43    42    46    59   0.14100  1.0 3.0
   46    54   -60    33   0.09850  1.0 1.0
   46    54   -60    33   0.15250 -1.0 2.0
   46    54   -60    33  -0.50650  1.0 3.0
   46    54    60    65   1.44450  1.0 1.0
   46    54    60    65   0.06600 -1.0 2.0
   46    54    60    65   0.29250  1.0 3.0
   46    54    60    56   0.09850  1.0 1.0
   46    54    60    56   0.15250 -1.0 2.0
   46    54    60    56  -0.50650  1.0 3.0
   46    59    61    62   0.08050  1.0 3.0
   46    59    61    63   0.08050  1.0 3.0
   46    59    61    64   0.08050  1.0 3.0
   54    46    59    61  -2.26850  1.0 1.0
   54    46    59    61   3.39050 -1.0 2.0
   54    60    65    66   0.18050 -1.0 2.0
   54    60    65    78   0.18050 -1.0 2.0
   54    60    56    47   0.34400  1.0 1.0
   54    60    56    47   0.09450 -1.0 2.0
   54    60    56    47   0.11100  1.0 3.0
   54    60    56    57   0.15000  1.0 3.0
   54    60    56    58   0.15000  1.0 3.0
   55    54    60    33   0.00000  1.0 1.0
   55    54    60    65   0.00000  1.0 1.0
   55    54    60    56   0.00000  1.0 1.0
   60    33    37    38   0.15000  1.0 3.0
   60    33    37    39   0.15000  1.0 3.0
   60    33   -37    42  -0.95700  1.0 1.0
   60    33   -37    42  -0.18200 -1.0 2.0
   60    33   -37    42   0.29450  1.0 3.0
   60    33    40    73   0.56750  1.0 1.0
   60    33    40    73  -0.07550 -1.0 2.0
   60    33    40    73   0.20000  1.0 3.0
   60    33    40    41   0.15000  1.0 3.0
   60    33    40    44   1.36600  1.0 1.0
   60    33    40    44  -0.11450 -1.0 2.0
   60    33    40    44   0.24250  1.0 3.0
   60    65    66    67   3.62500 -1.0 2.0
   60    65    66    69   3.62500 -1.0 2.0
   60    65    78    76   3.62500 -1.0 2.0
   60    65    78    85   3.62500 -1.0 2.0
   65    60    56    47  -0.03700  1.0 1.0
   65    60    56    47   0.37200 -1.0 2.0
   65    60    56    47  -0.47300  1.0 3.0
   65    60    56    57   0.43200  1.0 3.0
   65    60    56    58   0.43200  1.0 3.0
   65    66    67    68   3.62500 -1.0 2.0
   65    66    67    72   3.62500 -1.0 2.0
   65    66    69    70   0.00000  1.0 1.0
   65    66    69    71   0.00000  1.0 1.0
   65    66    69    73   0.04150 -1.0 2.0
   65    78    85    86   1.63200 -1.0 2.0
   66    65    78    76   3.62500 -1.0 2.0
   66    65    78    85   3.62500 -1.0 2.0
   66    67   -72    76   3.62500 -1.0 2.0
   66    67    72    77   3.62500 -1.0 2.0
   66    69    73    74   0.43200  1.0 3.0
   66    69    73    75   0.43200  1.0 3.0
   66    69    73    40  -0.03700  1.0 1.0
   66    69    73    40   0.37200 -1.0 2.0
   66    69    73    40  -0.47300  1.0 3.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    73   0.04150 -1.0 2.0
   67    72    76    78   3.62500 -1.0 2.0
   67    72    76    79   3.62500 -1.0 2.0
   67    72    77    81   1.63200 -1.0 2.0
   68    67    72    76   3.62500 -1.0 2.0
   68    67    72    77   3.62500 -1.0 2.0
   72    76   -78    65   3.62500 -1.0 2.0
   72    76    78    85   3.62500 -1.0 2.0
   72    76    79    80   0.84100 -1.0 2.0
   72    77    81    82   0.08050  1.0 3.0
   72    77    81    83   0.08050  1.0 3.0
   72    77    81    84   0.08050  1.0 3.0
   76    72    77    81   1.63200 -1.0 2.0
   76    78    85    86   1.63200 -1.0 2.0
   78    65   -66    67   3.62500 -1.0 2.0
   78    65    66    69   3.62500 -1.0 2.0
   78    76    79    80   0.84100 -1.0 2.0
   78    85    86    87   0.08050  1.0 3.0
   78    85    86    88   0.08050  1.0 3.0
   78    85    86    89   0.08050  1.0 3.0
   79    76    78    65   3.62500 -1.0 2.0
   79    76    78    85   3.62500 -1.0 2.0
   77    72    76    78   3.62500 -1.0 2.0
   77    72    76    79   3.62500 -1.0 2.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    72   3.62500 -1.0 2.0
   69    73    40    33   0.56750  1.0 1.0
   69    73    40    33  -0.07550 -1.0 2.0
   69    73    40    33   0.20000  1.0 3.0
   69    73    40    41   0.15000  1.0 3.0
   69    73    40    44   1.36600  1.0 1.0
   69    73    40    44  -0.11450 -1.0 2.0
   69    73    40    44   0.24250  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    40   0.15000  1.0 3.0
   71    69    73    74   0.15000  1.0 3.0
   71    69    73    75   0.15000  1.0 3.0
   71    69    73    40   0.15000  1.0 3.0
   73    40    44    45   0.17350  1.0 3.0
   73    40    44    47   0.47100  1.0 1.0
   73    40    44    50   0.47100  1.0 1.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    41   0.15000  1.0 3.0
   74    73    40    44   0.19200  1.0 3.0
   75    73    40    33   0.15000  1.0 3.0
   75    73    40    41   0.15000  1.0 3.0
   75    73    40    44   0.19200  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42  -0.95700  1.0 1.0
   40    33    37    42  -0.18200 -1.0 2.0
   40    33    37    42   0.29450  1.0 3.0
   40    33    60    54   0.34400  1.0 1.0
   40    33    60    54   0.09450 -1.0 2.0
   40    33    60    54   0.11100  1.0 3.0
   40    33    60    65  -0.03700  1.0 1.0
   40    33    60    65   0.37200 -1.0 2.0
   40    33    60    65  -0.47300  1.0 3.0
   40    33    60    56   0.56750  1.0 1.0
   40    33    60    56  -0.07550 -1.0 2.0
   40    33    60    56   0.20000  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.15000  1.0 3.0
   40    44   -47    56   0.47100  1.0 1.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44    50    53   0.15000  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   44    47   -56    60   1.36600  1.0 1.0
   44    47   -56    60  -0.11450 -1.0 2.0
   44    47   -56    60   0.24250  1.0 3.0
   44    47    56    57   0.19200  1.0 3.0
   44    47    56    58   0.19200  1.0 3.0
   45    44    47    48   0.13050  1.0 3.0
   45    44    47    49   0.13050  1.0 3.0
   45    44    47    56   0.17350  1.0 3.0
   45    44    50    51   0.13050  1.0 3.0
   45    44    50    52   0.13050  1.0 3.0
   45    44    50    53   0.13050  1.0 3.0
   47    44    50    51   0.15000  1.0 3.0
   47    44    50    52   0.15000  1.0 3.0
   47    44    50    53   0.15000  1.0 3.0
   48    47    56    60   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   49    47    56    60   0.15000  1.0 3.0
   49    47    56    57   0.15000  1.0 3.0
   49    47    56    58   0.15000  1.0 3.0
   56    60    65    66   0.04150 -1.0 2.0
   56    60    65    78   0.04150 -1.0 2.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    56   0.47100  1.0 1.0
   59    46    54    55   7.00000 -1.0 2.0
   59    46    54    60   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    46    42    43  10.50000 -1.0 2.0
   42    59    46    54   1.10000 -1.0 2.0
   60    55    54    46   1.10000 -1.0 2.0
   66    78    65    60   4.00000 -1.0 2.0
   67    69    66    65   4.00000 -1.0 2.0
   72    68    67    66   1.10000 -1.0 2.0
   76    77    72    67   4.00000 -1.0 2.0
   78    79    76    72   4.00000 -1.0 2.0
   76    85    78    65   4.00000 -1.0 2.0
END
