* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    158    241     465
    1     0 S   NP   _N1_     1    28.87363    93.68411   -20.92606
    2     1 S   H    _HN1     2     1.02833    26.03037   149.33055
    3     1 S   H    _H1_     3     1.02778    87.93618   -69.84691
    4     1 S   H    _H2_     4     1.02966    98.78523    38.37654
    5     1 S   CT   _CA1     5     1.50132   135.61538   169.79411
    6     5 S   HC   _HA1     6     1.09566   105.25703    49.71032
    7     5 S   CO3  _C1_     7     1.53801   112.42385   -70.53509
    8     7 S   O2Z  _O11     8     1.26348   115.07395   -40.85898
    9     7 S   O2Z  _O12     9     1.26256   115.05873   138.51695
   10     5 S   CT   _CB1    10     1.53116   107.40234   167.73539
   11    10 S   HC   HB11    11     1.09814   109.44973   -49.42658
   12    10 S   HC   HB12    12     1.09827   110.32196    67.14418
   13    10 S   CT   _CG1    13     1.52989   112.71005  -170.57277
   14    13 S   HC   HG11    14     1.09499   110.28992   -60.30669
   15    13 S   HC   HG12    15     1.09621   110.20831    58.80670
   16    13 S   C    _CD1    16     1.51791   112.19199   178.97779
   17    16 S   O    _OE1    17     1.22722   123.15389   -15.05432
   18    16 S   N    _N2_    18     1.38600   111.68999   165.78933
   19    18 S   H    _HN2    19     1.01575   119.00071     1.66483
   20    18 S   CT1  _CA2    20     1.46293   123.48914  -177.32577
   21    20 S   HC   _HA2    21     1.09731   109.42634   -16.97379
   22    20 S   C    _C2_    22     1.53377   108.05351  -132.75873
   23    22 S   O    _O2_    23     1.22997   122.35380  -144.04691
   24    20 S   CT   _CB2    32     1.53578   111.11106   105.31927
   25    24 S   HC   HB21    33     1.09256   109.07738    54.45401
   26    24 S   HC   HB22    34     1.09512   110.44497   172.62701
   27    22 S   N    _N3_    24     1.38540   113.24095    43.15147
   28    27 S   H    _HN3    25     1.01536   118.92142    -0.34548
   29    24 S   S    _SG2    35     1.82895   111.22760   -68.68223
   30    27 S   CT   _CA3    26     1.45444   123.37679   175.22730
   31    30 S   HC   HA31    27     1.09528   109.16269    25.80709
   32    30 S   HC   HA32    28     1.09494   107.13975   142.79559
   33    29 S   CT   _C18    36     1.88073   103.41085   148.63902
   34    30 S   CO3  _C3_    29     1.52929   113.16254   -97.62037
   35    34 S   O2Z  _O31    30     1.26398   115.42263   -44.28447
   36    34 S   O2Z  _O32    31     1.26358   114.97149   136.65753
   37    33 S   CT   _C15    37     1.54897   109.67822    52.86296
   38    37 S   HC   _H34    38     1.09612   110.64470   -53.26542
   39    37 S   HC   _H35    39     1.09759   109.70781  -168.13047
   40    33 S   CT   _C17    50     1.56547   107.41578   171.77419
   41    40 S   HC   _H37    51     1.09839   107.80292    51.97064
   42    33 S   CT   _C24    69     1.55643   109.43685   -66.14413
   43    42 S   HC   _H50    70     1.09724   109.17368   178.41193
   44    42 S   HC   _H51    71     1.09554   110.46899    62.85979
   45    37 S   CA   _C6_    40     1.50799   115.42417    71.68866
   46    40 S   CO4  _C10    52     1.53757   114.00721   167.66931
   47    46 S   O    _O22    53     1.23007   122.32867    46.23145
   48    42 S   CO4  _C13    72     1.52747   118.39948   -60.31174
   49    48 S   O    _O25    73     1.22929   123.54573     3.97966
   50    45 S   CA   _C4_    41     1.40659   118.15038  -159.53705
   51    50 S   HA   _H32    42     1.08751   119.68634     2.39302
   52    46 S   CT   _C21    54     1.51504   116.17414  -136.19312
   53    52 S   HC   _H44    55     1.09377   109.39505    59.57525
   54    52 S   HC   _H45    56     1.09535   108.60431   -57.90109
   55    48 S   CT   _C22    74     1.51514   115.94250  -176.21468
   56    55 S   HC   _H46    75     1.09363   107.62551  -117.55780
   57    55 S   HC   _H47    76     1.09490   109.41852    -0.33630
   58    50 S   CA   _C8_    43     1.39214   120.39145  -177.31401
   59    52 S   CO4  _C11    57     1.51005   114.12962  -178.42492
   60    59 S   O    _O23    58     1.23102   121.32531    96.37736
   61    55 S   CO4  _C12    77     1.51229   114.35504   120.68807
   62    61 S   O    _O24    78     1.23015   121.95247    -7.39940
   63    58 S   CA   _C5_    44     1.38725   120.65103     0.68386
   64    63 S   HA   _H33    45     1.08598   119.98148   179.58035
   65    59 S   CT   _C19    59     1.50573   117.26622   -83.30971
   66    65 S   HC   _H38    60     1.09270   110.05098    50.31275
   67    65 S   HC   _H39    61     1.09353   109.61192   169.58437
   68    65 S   HC   _H40    62     1.09230   109.39447   -70.92124
   69    58 S   OH   _O27    67     1.36607   121.10978  -179.73533
   70    69 S   HO   _H52    68     0.97240   108.62723     0.53119
   71    61 S   CT   _C23    79     1.51443   116.15524   171.80303
   72    71 S   HC   _H48    80     1.09575   108.80809    32.86508
   73    71 S   HC   _H49    81     1.09435   106.88351   -84.37828
   74    63 S   CA   _C9_    46     1.39511   119.06570    -0.14127
   75    71 S   CO4  _C14    82     1.51010   114.51597   152.59451
   76    75 S   O    _O26    83     1.22517   123.74361   -30.92795
   77    45 S   CA   _C7_    47     1.40602   121.96117    23.93293
   78    74 S   OH   _O28    65     1.37144   119.23558   179.19182
   79    78 S   HO   _H53    66     0.97212   108.84740     1.55444
   80    75 S   S    _S31    84     1.76602   113.77915   152.00572
   81    77 S   CT   _C16    48     1.51179   121.58167    -4.00990
   82    81 S   HC   _H36    49     1.09803   107.52904   131.18479
   83    80 S   CT   _C20    85     1.80594   100.30167  -177.30950
   84    83 S   HC   _H41    86     1.09324   109.27836   179.11441
   85    83 S   HC   _H42    87     1.09341   110.51456    59.77020
   86    83 S   HC   _H43    88     1.09339   110.54042   -61.55536
   87    81 S   OH   _O29    63     1.43039   108.17665  -114.36305
   88    87 S   HO   _H54    64     0.97194   107.73932  -171.82027
  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
  20   2   1   1  16   6   5  18   8  11   4   3  11  11   5   7
   4   9   4   9   4   3   8   4   3   7   5   4   7   4   8   4
   3   2   1   1   2   1   6   4   3   6   6   2   6   2   1   4
   3   2   3   2   1   1   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    81    40    41    46    42    43    44    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    50    77    81    82    40    41    46    47    52    87    42    43    44    48    49    55  
   35    36  
   36  
    0  
   38    39    45    50    51    58    74    77    81    40    41    46    42    43    44    48  
   39    45    50    77    40    42  
   45    50    77    40    42  
   41    46    47    52    53    54    59    87    88    42    43    44    48    45    74    77    81    82  
   46    47    52    87    42    77    81    82  
   43    44    48    49    55    56    57    61    45    46    81  
   44    48    49    55  
   48    49    55  
   50    51    58    63    74    77    81    82    87    78    69  
   47    52    53    54    59    60    65    87    77    81    82  
   52    53    54    59    81  
   49    55    56    57    61    62    71  
   55    56    57    61  
   51    58    63    64    74    77    81    69    70  
   58    63    77    69  
   53    54    59    60    65    66    67    68    81  
   54    59    60    65  
   59    60    65  
   56    57    61    62    71    72    73    75  
   57    61    62    71  
   61    62    71  
   63    64    74    77    78    69    70  
   60    65    66    67    68  
   65    66    67    68  
   62    71    72    73    75    76    80  
   71    72    73    75  
   64    74    77    81    78    79    69    70  
   74    77    78    69  
   66    67    68  
   67    68  
   68  
    0  
   70    74  
    0  
   72    73    75    76    80    83  
   73    75    76    80  
   75    76    80  
   77    81    82    87    78    79  
   76    80    83    84    85    86  
   80    83  
   81    82    87    88    78    79  
   79    81  
    0  
   83    84    85    86  
   82    87    88  
   87    88  
   84    85    86  
   85    86  
   86  
    0  
   88  
    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  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   81   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   317.000  1.510
   45    50   469.000  1.400
   45    77   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    63   469.000  1.400
   58    69   450.000  1.364
   63    64   367.000  1.080
   63    74   469.000  1.400
   74    77   469.000  1.400
   74    78   450.000  1.364
   77    81   317.000  1.510
   81    82   340.000  1.090
   81    40   268.000  1.529
   81    87   320.000  1.410
   40    41   340.000  1.090
   40    46   317.000  1.522
   46    47   570.000  1.229
   46    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   317.000  1.522
   59    60   570.000  1.229
   59    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   87    88   553.000  0.945
   78    79   553.000  0.945
   69    70   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.522
   48    49   570.000  1.229
   48    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   317.000  1.522
   61    62   570.000  1.229
   61    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   317.000  1.522
   75    76   570.000  1.229
   75    80   210.000  1.799
   80    83   222.000  1.810
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   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    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    70.00000  112.17500
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    46    63.00000  111.10000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    48    63.00000  111.10000
   37    45    50    70.00000  120.00000
   37    45    77    70.00000  120.00000
   39    37    38    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    39    35.00000  109.50000
   45    50    51    35.00000  120.00000
   45    50    58    63.00000  120.00000
   45    77    74    63.00000  120.00000
   45    77    81    70.00000  120.00000
   50    58    63    63.00000  120.00000
   50    58    69    70.00000  120.00000
   58    50    51    35.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    74    63.00000  120.00000
   58    69    70    35.00000  113.00000
   63    74    77    63.00000  120.00000
   63    74    78    70.00000  120.00000
   74    63    64    35.00000  120.00000
   74    77    81    70.00000  120.00000
   74    78    79    35.00000  113.00000
   77    45    50    63.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    40    70.00000  112.17500
   77    81    87    90.00000  112.51600
   81    40    41    37.50000  110.70000
   81    40    46    63.00000  111.10000
   81    87    88    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    46    47    80.00000  120.40000
   40    46    52    70.00000  116.00000
   46    40    41    35.00000  109.50000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    59    75.00000  107.99600
   52    46    47    80.00000  120.40000
   52    59    60    80.00000  120.40000
   52    59    65    70.00000  116.00000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   65    59    60    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   87    81    82    35.00000  109.50000
   87    81    40    50.00000  109.50000
   78    74    77    70.00000  120.00000
   69    58    63    70.00000  120.00000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    48    49    80.00000  120.40000
   42    48    55    70.00000  116.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    61    75.00000  107.99600
   55    48    49    80.00000  120.40000
   55    61    62    80.00000  120.40000
   55    61    71    70.00000  116.00000
   57    55    56    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    57    35.00000  109.50000
   61    71    72    35.00000  109.50000
   61    71    73    35.00000  109.50000
   61    71    75    75.00000  107.99600
   71    61    62    80.00000  120.40000
   71    75    76    80.00000  120.40000
   71    75    80    70.00000  114.16300
   73    71    72    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    73    35.00000  109.50000
   75    80    83    90.00000   96.72000
   80    75    76    80.00000  121.30200
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   80    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    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    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    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    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    48   0.56750  1.0 1.0
   29    33    42    48  -0.07550 -1.0 2.0
   29    33    42    48   0.20000  1.0 3.0
   33    37    45    50   0.04150 -1.0 2.0
   33    37    45    77   0.04150 -1.0 2.0
   33    40    46    47   0.30150 -1.0 2.0
   33    40    46    52   0.60050  1.0 1.0
   33    40    46    52   0.05600 -1.0 2.0
   33    40    46    52   0.26150  1.0 3.0
   33    42    48    49   0.30150 -1.0 2.0
   33    42    48    55   0.60050  1.0 1.0
   33    42    48    55   0.05600 -1.0 2.0
   33    42    48    55   0.26150  1.0 3.0
   37    33    40    81   0.56750  1.0 1.0
   37    33    40    81  -0.07550 -1.0 2.0
   37    33    40    81   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    46  -0.95700  1.0 1.0
   37    33    40    46  -0.18200 -1.0 2.0
   37    33    40    46   0.29450  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    48  -0.95700  1.0 1.0
   37    33    42    48  -0.18200 -1.0 2.0
   37    33    42    48   0.29450  1.0 3.0
   37    45    50    51   3.62500 -1.0 2.0
   37    45    50    58   3.62500 -1.0 2.0
   37    45    77    74   3.62500 -1.0 2.0
   37    45   -77    81   3.62500 -1.0 2.0
   38    37    45    50   0.00000  1.0 1.0
   38    37    45    77   0.00000  1.0 1.0
   39    37    45    50   0.00000  1.0 1.0
   39    37    45    77   0.00000  1.0 1.0
   45    50    58    63   3.62500 -1.0 2.0
   45    50    58    69   3.62500 -1.0 2.0
   45    77    81    82   0.00000  1.0 1.0
   45    77    81    40   0.04150 -1.0 2.0
   45    77    81    87   0.14300 -1.0 2.0
   45    77    81    87   0.00300  1.0 3.0
   50    45    77    74   3.62500 -1.0 2.0
   50    45    77    81   3.62500 -1.0 2.0
   50    58    63    64   3.62500 -1.0 2.0
   50    58   -63    74   3.62500 -1.0 2.0
   50    58    69    70   0.84100 -1.0 2.0
   51    50    58    63   3.62500 -1.0 2.0
   51    50    58    69   3.62500 -1.0 2.0
   58    63    74    77   3.62500 -1.0 2.0
   58    63    74    78   3.62500 -1.0 2.0
   63    58    69    70   0.84100 -1.0 2.0
   63    74   -77    45   3.62500 -1.0 2.0
   63    74    77    81   3.62500 -1.0 2.0
   63    74    78    79   0.84100 -1.0 2.0
   64    63    74    77   3.62500 -1.0 2.0
   64    63    74    78   3.62500 -1.0 2.0
   74    77    81    82   0.00000  1.0 1.0
   74    77    81    40   0.04150 -1.0 2.0
   74    77    81    87   0.14300 -1.0 2.0
   74    77    81    87   0.00300  1.0 3.0
   77    45    50    51   3.62500 -1.0 2.0
   77    45   -50    58   3.62500 -1.0 2.0
   77    74    78    79   0.84100 -1.0 2.0
   77    81   -40    33  -0.03700  1.0 1.0
   77    81   -40    33   0.37200 -1.0 2.0
   77    81   -40    33  -0.47300  1.0 3.0
   77    81    40    41   0.43200  1.0 3.0
   77    81    40    46   0.56750  1.0 1.0
   77    81    40    46  -0.07550 -1.0 2.0
   77    81    40    46   0.20000  1.0 3.0
   77    81    87    88   0.31900  1.0 1.0
   77    81    87    88  -0.11800 -1.0 2.0
   77    81    87    88   0.38750  1.0 3.0
   81    40    46    47   0.30150 -1.0 2.0
   81    40    46    52   0.60050  1.0 1.0
   81    40    46    52   0.05600 -1.0 2.0
   81    40    46    52   0.26150  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    46  -0.11250  1.0 3.0
   82    81    87    88   0.19450  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    45  -0.03700  1.0 1.0
   40    33   -37    45   0.37200 -1.0 2.0
   40    33   -37    45  -0.47300  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    48  -0.95700  1.0 1.0
   40    33    42    48  -0.18200 -1.0 2.0
   40    33    42    48   0.29450  1.0 3.0
   40    81    87    88  -0.11600  1.0 1.0
   40    81    87    88  -0.09450 -1.0 2.0
   40    81    87    88   0.21250  1.0 3.0
   40    46    52    53   0.00000  1.0 1.0
   40    46    52    54   0.00000  1.0 1.0
   40    46    52    59   0.65300  1.0 1.0
   40    46    52    59  -0.03850 -1.0 2.0
   40    46    52    59   0.33900  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    52   0.00000  1.0 1.0
   46    52    59    60   0.30150 -1.0 2.0
   46    52    59    65   0.65300  1.0 1.0
   46    52    59    65  -0.03850 -1.0 2.0
   46    52    59    65   0.33900  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    54   0.00000  1.0 1.0
   47    46    52    59   0.30150 -1.0 2.0
   52    59    65    66   0.00000  1.0 1.0
   52    59    65    67   0.00000  1.0 1.0
   52    59    65    68   0.00000  1.0 1.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    65   0.00000  1.0 1.0
   54    52    59    60   0.00000  1.0 1.0
   54    52    59    65   0.00000  1.0 1.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67   0.00000  1.0 1.0
   60    59    65    68   0.00000  1.0 1.0
   87    81    40    33   0.86500  1.0 1.0
   87    81    40    33  -0.17500 -1.0 2.0
   87    81    40    33   0.20800  1.0 3.0
   87    81    40    41   0.23400  1.0 3.0
   87    81    40    46  -0.09450  1.0 1.0
   87    81    40    46  -1.12950 -1.0 2.0
   87    81    40    46   0.54000  1.0 3.0
   78    74    77    45   3.62500 -1.0 2.0
   78    74    77    81   3.62500 -1.0 2.0
   69    58    63    64   3.62500 -1.0 2.0
   69    58    63    74   3.62500 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45  -0.03700  1.0 1.0
   42    33    37    45   0.37200 -1.0 2.0
   42    33    37    45  -0.47300  1.0 3.0
   42    33    40    81   0.56750  1.0 1.0
   42    33    40    81  -0.07550 -1.0 2.0
   42    33    40    81   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    46  -0.95700  1.0 1.0
   42    33    40    46  -0.18200 -1.0 2.0
   42    33    40    46   0.29450  1.0 3.0
   42    48    55    56   0.00000  1.0 1.0
   42    48    55    57   0.00000  1.0 1.0
   42    48    55    61   0.65300  1.0 1.0
   42    48    55    61  -0.03850 -1.0 2.0
   42    48    55    61   0.33900  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    55   0.00000  1.0 1.0
   44    42    48    49   0.00000  1.0 1.0
   44    42    48    55   0.00000  1.0 1.0
   48    55    61    62   0.30150 -1.0 2.0
   48    55    61    71   0.65300  1.0 1.0
   48    55    61    71  -0.03850 -1.0 2.0
   48    55    61    71   0.33900  1.0 3.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    57   0.00000  1.0 1.0
   49    48    55    61   0.30150 -1.0 2.0
   55    61    71    72   0.00000  1.0 1.0
   55    61    71    73   0.00000  1.0 1.0
   55    61    71    75   0.65300  1.0 1.0
   55    61    71    75  -0.03850 -1.0 2.0
   55    61    71    75   0.33900  1.0 3.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    71   0.00000  1.0 1.0
   57    55    61    62   0.00000  1.0 1.0
   57    55    61    71   0.00000  1.0 1.0
   61    71    75    76   0.30150 -1.0 2.0
   61    71    75    80   0.00000  1.0 1.0
   62    61    71    72   0.00000  1.0 1.0
   62    61    71    73   0.00000  1.0 1.0
   62    61    71    75   0.30150 -1.0 2.0
   71    75    80    83  -0.11550  1.0 1.0
   71    75    80    83   1.88700 -1.0 2.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    80   0.00000  1.0 1.0
   73    71    75    76   0.00000  1.0 1.0
   73    71    75    80   0.00000  1.0 1.0
   75    80    83    84   0.24000  1.0 3.0
   75    80    83    85   0.24000  1.0 3.0
   75    80    83    86   0.24000  1.0 3.0
   76    75    80    83  -0.11550  1.0 1.0
   76    75    80    83   1.88700 -1.0 2.0
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
   50    77    45    37   4.00000 -1.0 2.0
   58    51    50    45   1.10000 -1.0 2.0
   63    69    58    50   4.00000 -1.0 2.0
   74    64    63    58   1.10000 -1.0 2.0
   77    78    74    63   4.00000 -1.0 2.0
   74    81    77    45   4.00000 -1.0 2.0
   40    52    46    47  10.50000 -1.0 2.0
   52    65    59    60  10.50000 -1.0 2.0
   42    55    48    49  10.50000 -1.0 2.0
   55    71    61    62  10.50000 -1.0 2.0
   71    80    75    76  10.50000 -1.0 2.0
END
