* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    155    242     460
    1     0 S   NP   _N1_     1    28.78893    95.06651   -20.27039
    2     1 S   H    _HN1     2     1.02832    35.96333   141.84640
    3     1 S   H    _H1_     3     1.02780    84.96532   -87.87255
    4     1 S   H    _H2_     4     1.02954    89.18264    20.62500
    5     1 S   CT   _CA1     5     1.50069   146.56937   148.32226
    6     5 S   HC   _HA1     6     1.09576   105.26055    55.01501
    7     5 S   CO3  _C1_     7     1.53855   112.53891   -65.24169
    8     7 S   O2Z  _O11     8     1.26358   115.00615   -41.48449
    9     7 S   O2Z  _O12     9     1.26251   114.95289   137.90057
   10     5 S   CT   _CB1    10     1.53129   107.46552   173.02478
   11    10 S   HC   HB11    11     1.09809   109.47813   -50.46797
   12    10 S   HC   HB12    12     1.09814   110.43026    66.23119
   13    10 S   CT   _CG1    13     1.52871   112.39338  -171.55892
   14    13 S   HC   HG11    14     1.09573   110.28694   -61.72778
   15    13 S   HC   HG12    15     1.09615   109.91306    57.44639
   16    13 S   C    _CD1    16     1.51689   112.67550   177.59751
   17    16 S   O    _OE1    17     1.22686   123.35562    -9.66910
   18    16 S   N    _N2_    18     1.38577   111.32390   170.99224
   19    18 S   H    _HN2    19     1.01496   118.91240     1.05202
   20    18 S   CT1  _CA2    20     1.46271   123.74016  -179.61336
   21    20 S   HC   _HA2    21     1.09692   109.31472    -5.20413
   22    20 S   C    _C2_    22     1.53527   109.00424  -121.32863
   23    22 S   O    _O2_    23     1.23041   122.18801  -156.15558
   24    20 S   CT   _CB2    32     1.53436   111.10554   116.80491
   25    24 S   HC   HB21    33     1.09558   109.29357    59.30179
   26    24 S   HC   HB22    34     1.09482   110.66477   178.14438
   27    22 S   N    _N3_    24     1.38274   113.92025    30.48379
   28    27 S   H    _HN3    25     1.01613   119.39089    -2.08262
   29    24 S   S    _SG2    35     1.82788   111.37197   -61.45756
   30    27 S   CT   _CA3    26     1.45244   123.26597   178.66426
   31    30 S   HC   HA31    27     1.09536   107.44856   -68.25666
   32    30 S   HC   HA32    28     1.09556   108.09604    48.25052
   33    29 S   CT   _C7_    36     1.83771    99.54819   160.21056
   34    33 S   HC   _H3_    37     1.09124   107.00959   -39.51680
   35    30 S   CO3  _C3_    29     1.52934   114.02225   170.34911
   36    35 S   O2Z  _O31    30     1.26372   116.03852     2.25099
   37    35 S   O2Z  _O32    31     1.26410   114.41253  -177.72738
   38    33 S   CM   _C6_    38     1.51237   107.46936  -156.84287
   39    38 S   HC   _H9_    39     1.09031   115.54532   -66.00069
   40    33 S   CM   _C8_    78     1.49917   110.00895    80.26185
   41    38 S   CM   _C5_    40     1.34486   127.16010   113.28719
   42    40 S   CMA  _C9_    79     1.52274   124.60785  -110.77004
   43    42 S   OM   _O33    80     1.26400   119.98868  -179.66780
   44    42 S   OM   _O34    81     1.26230   121.86224     0.45970
   45    40 S   OH   _O35    82     1.38485   117.71696    68.52352
   46    45 S   HO   _H10    83     0.97599   104.87979  -179.49954
   47    41 S   CO4  _C10    41     1.48816   120.03698     1.05666
   48    47 S   O    _O36    42     1.22898   119.72822    98.36943
   49    41 S   CT   _C4_    74     1.49423   124.23259  -179.17126
   50    49 S   HC   _H6_    75     1.09492   110.40375   120.27442
   51    49 S   HC   _H7_    76     1.09498   111.94627     0.26020
   52    49 S   HC   _H8_    77     1.09487   110.45090  -119.80616
   53    47 S   CT   _C11    43     1.51864   117.15854   -85.34321
   54    53 S   HC   _H11    44     1.09561   109.49928    25.37416
   55    53 S   HC   _H12    45     1.09405   107.44071   -91.45090
   56    53 S   CT   _C12    46     1.53280   110.82668   146.26042
   57    56 S   HC   _H13    47     1.09759   109.84970    59.01961
   58    56 S   HC   _H14    48     1.09571   107.47942   -56.15485
   59    56 S   CT   _C13    49     1.53876   113.04050  -177.62093
   60    59 S   HC   _H4_    50     1.09463   108.83835    43.17519
   61    59 S   CO4  _C21    51     1.54207   111.94790   -76.12927
   62    61 S   O    _O38    52     1.23152   122.58430    12.39564
   63    61 S   CT   _C20    53     1.52517   117.43154  -171.34052
   64    63 S   HC   _H21    54     1.09581   108.54527   167.19770
   65    63 S   HC   _H22    55     1.09439   107.82529   -76.86940
   66    63 S   CT   _C19    56     1.53147   112.91126    46.14360
   67    66 S   HC   _H19    57     1.09814   109.24359    72.54080
   68    66 S   HC   _H20    58     1.09666   109.80788  -171.66582
   69    66 S   CT   _C18    59     1.52661   110.99054   -48.71252
   70    69 S   CO4  _C17    60     1.51797   115.96937   167.52189
   71    70 S   O    _O37    61     1.22391   124.66181    40.64138
   72    69 S   CT   _C22    70     1.53750   111.40654   -70.05272
   73    72 S   HC   _H23    71     1.09256   112.65380    60.24323
   74    72 S   HC   _H24    72     1.09671   110.29879   -59.58675
   75    72 S   HC   _H25    73     1.09435   112.31596  -178.06893
   76    70 S   CT   _C16    62     1.51703   111.46858  -140.40062
   77    76 S   HC   _H17    63     1.09372   108.84089   118.27235
   78    76 S   HC   _H18    64     1.09204   111.07297  -119.33605
   79    76 S   CT   _C15    65     1.53442   103.03316     0.29805
   80    79 S   HC   _H15    66     1.09415   110.65075   147.08693
   81    79 S   HC   _H16    67     1.09357   110.83552   -93.49522
   82    59 S   CT   _C14    68     1.53384   111.61354   165.85431
   83    82 S   HC   _H5_    69     1.10437   106.66257    63.28745
  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   8   5   4   3
  12   6   2   1   1  12   4   6  10   4   2   1   1   1  12   5
   4   2   1   1   9   5   4  11   5   4  16   7  11   5   9   5
   4  13   5   4  14  13   6   7   3   2   1   7   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    47    49    40    42    43    44    45    46  
   38    39    41    40    42    45  
   36    37  
   37  
    0  
   39    41    47    48    53    49    50    51    52    40    42    45  
   41    47    49    40  
   42    43    44    45    46    41  
   47    48    53    54    55    56    49    50    51    52  
   43    44    45    46  
   44    45  
   45  
   46  
    0  
   48    53    54    55    56    57    58    59    49    50    51    52  
   53    54    55    56    49  
   50    51    52    53  
   51    52  
   52  
    0  
   54    55    56    57    58    59    60    61    82  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    62    63    69    79    82    83  
   58    59    60    61    82  
   59    60    61    82  
   60    61    62    63    64    65    66    69    70    76    79    80    81    82    83    72  
   61    62    63    69    79    82    83  
   62    63    64    65    66    67    68    69    79    82    83  
   63    64    65    66    82  
   64    65    66    67    68    69    70    82    72  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    76    79    82    83    72    73    74    75  
   68    69    70    82    72  
   69    70    82    72  
   70    71    76    77    78    79    80    81    82    83    72    73    74    75  
   71    76    77    78    79    80    81    82    83    72    73    74    75  
   76    77    78    79    82    72  
   73    74    75    76    79    82    83  
   74    75    82  
   75    82  
   82  
   77    78    79    80    81    82    83  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.3810   1.2100   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   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    47   320.000  1.462
   41    49   317.000  1.510
   47    48   570.000  1.229
   47    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   317.000  1.522
   59    82   268.000  1.529
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   317.000  1.522
   69    82   268.000  1.529
   69    72   268.000  1.529
   70    71   570.000  1.229
   70    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   40    42   465.000  1.376
   40    45   510.000  1.338
   42    43   745.000  1.250
   42    44   745.000  1.250
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    42    70.00000  124.00000
   33    40    45    90.00000  109.34000
   38    33    34    35.00000  109.50000
   38    41    47    65.00000  118.96000
   38    41    49    70.00000  124.00000
   41    38    39    35.00000  120.00000
   41    47    48    80.00000  123.72100
   41    47    53    65.00000  118.62400
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    52    35.00000  109.50000
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   47    53    56    63.00000  111.10000
   53    47    48    80.00000  120.40000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    63.00000  111.10000
   56    59    82    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    80.00000  120.40000
   59    61    63    70.00000  116.00000
   59    82    69    58.35000  112.70000
   59    82    79    58.35000  112.70000
   59    82    83    37.50000  110.70000
   61    59    60    35.00000  109.50000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    63.00000  111.10000
   63    61    62    80.00000  120.40000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    63.00000  111.10000
   66    69    82    58.35000  112.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    70    71    80.00000  120.40000
   69    70    76    70.00000  116.00000
   69    82    79    58.35000  112.70000
   69    82    83    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    63.00000  111.10000
   76    70    71    80.00000  120.40000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    59    60    37.50000  110.70000
   82    59    61    63.00000  111.10000
   82    69    70    63.00000  111.10000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   72    69    70    63.00000  111.10000
   72    69    82    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   49    41    47    65.00000  116.34900
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    42    43    65.00000  137.10300
   40    42    44    65.00000  137.10300
   40    45    46    70.00000  107.45700
   44    42    43    65.00000  121.00000
   45    40    42    80.00000  121.38400
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    42   0.42700  1.0 1.0
   29    33    40    42  -0.70350 -1.0 2.0
   29    33    40    42  -0.43150  1.0 3.0
   29    33    40    45   0.09700  1.0 1.0
   29    33    40    45   0.15600 -1.0 2.0
   29    33    40    45  -0.50800  1.0 3.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    40    42    43   7.00000 -1.0 2.0
   33    40    42    44   7.00000 -1.0 2.0
   33    40    45    46   2.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    42   0.00000  1.0 1.0
   34    33    40    45   0.00000  1.0 1.0
   38    33    40    42  -0.28300  1.0 1.0
   38    33    40    42   0.26700 -1.0 2.0
   38    33    40    42  -0.63300  1.0 3.0
   38    33    40    45   0.09700  1.0 1.0
   38    33    40    45   0.15600 -1.0 2.0
   38    33    40    45  -0.50800  1.0 3.0
   38    41    47    48   1.00000 -1.0 2.0
   38    41    47    53  -0.33500  1.0 1.0
   38    41    47    53   1.06600 -1.0 2.0
   38    41    47    53  -0.14000  1.0 3.0
   38    41    49    50   0.00000  1.0 1.0
   38    41    49    51   0.00000  1.0 1.0
   38    41    49    52   0.00000  1.0 1.0
   39    38    41    47   7.00000 -1.0 2.0
   39    38    41    49   7.00000 -1.0 2.0
   41    47    53    54   0.00000  1.0 1.0
   41    47    53    55   0.00000  1.0 1.0
   41    47    53    56   0.65300  1.0 1.0
   41    47    53    56  -0.03850 -1.0 2.0
   41    47    53    56   0.33900  1.0 3.0
   47    41    49    50   0.15000  1.0 3.0
   47    41    49    51   0.15000  1.0 3.0
   47    41    49    52   0.15000  1.0 3.0
   47    53    56    57  -0.11250  1.0 3.0
   47    53    56    58  -0.11250  1.0 3.0
   47    53    56    59  -0.95700  1.0 1.0
   47    53    56    59  -0.18200 -1.0 2.0
   47    53    56    59   0.29450  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    55   0.00000  1.0 1.0
   48    47    53    56   0.30150 -1.0 2.0
   53    56    59    60   0.15000  1.0 3.0
   53    56    59    61  -0.95700  1.0 1.0
   53    56    59    61  -0.18200 -1.0 2.0
   53    56    59    61   0.29450  1.0 3.0
   53    56    59    82   0.56750  1.0 1.0
   53    56    59    82  -0.07550 -1.0 2.0
   53    56    59    82   0.20000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    61    62   0.30150 -1.0 2.0
   56    59    61    63   0.60050  1.0 1.0
   56    59    61    63   0.05600 -1.0 2.0
   56    59    61    63   0.26150  1.0 3.0
   56    59    82    69   0.56750  1.0 1.0
   56    59    82    69  -0.07550 -1.0 2.0
   56    59    82    69   0.20000  1.0 3.0
   56    59    82    79   0.56750  1.0 1.0
   56    59    82    79  -0.07550 -1.0 2.0
   56    59    82    79   0.20000  1.0 3.0
   56    59    82    83   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61  -0.11250  1.0 3.0
   57    56    59    82   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61  -0.11250  1.0 3.0
   58    56    59    82   0.15000  1.0 3.0
   59    61    63    64   0.00000  1.0 1.0
   59    61    63    65   0.00000  1.0 1.0
   59    61    63    66   0.60050  1.0 1.0
   59    61    63    66   0.05600 -1.0 2.0
   59    61    63    66   0.26150  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    82    69   0.15000  1.0 3.0
   60    59    82    79   0.15000  1.0 3.0
   60    59    82    83   0.15000  1.0 3.0
   61    59    82    69  -0.95700  1.0 1.0
   61    59    82    69  -0.18200 -1.0 2.0
   61    59    82    69   0.29450  1.0 3.0
   61    59    82    79  -0.95700  1.0 1.0
   61    59    82    79  -0.18200 -1.0 2.0
   61    59    82    79   0.29450  1.0 3.0
   61    59    82    83  -0.11250  1.0 3.0
   61    63    66    67  -0.11250  1.0 3.0
   61    63    66    68  -0.11250  1.0 3.0
   61    63   -66    69  -0.95700  1.0 1.0
   61    63   -66    69  -0.18200 -1.0 2.0
   61    63   -66    69   0.29450  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    66   0.30150 -1.0 2.0
   63    66    69    70  -0.95700  1.0 1.0
   63    66    69    70  -0.18200 -1.0 2.0
   63    66    69    70   0.29450  1.0 3.0
   63    66    69    82   0.56750  1.0 1.0
   63    66    69    82  -0.07550 -1.0 2.0
   63    66    69    82   0.20000  1.0 3.0
   63    66    69    72   0.56750  1.0 1.0
   63    66    69    72  -0.07550 -1.0 2.0
   63    66    69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    70    71   0.30150 -1.0 2.0
   66    69    70    76   0.60050  1.0 1.0
   66    69    70    76   0.05600 -1.0 2.0
   66    69    70    76   0.26150  1.0 3.0
   66    69   -82    59   0.56750  1.0 1.0
   66    69   -82    59  -0.07550 -1.0 2.0
   66    69   -82    59   0.20000  1.0 3.0
   66    69    82    79   0.56750  1.0 1.0
   66    69    82    79  -0.07550 -1.0 2.0
   66    69    82    79   0.20000  1.0 3.0
   66    69    82    83   0.15000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   0.15000  1.0 3.0
   67    66    69    70  -0.11250  1.0 3.0
   67    66    69    82   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70  -0.11250  1.0 3.0
   68    66    69    82   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    70    76    77   0.00000  1.0 1.0
   69    70    76    78   0.00000  1.0 1.0
   69    70   -76    79   0.60050  1.0 1.0
   69    70   -76    79   0.05600 -1.0 2.0
   69    70   -76    79   0.26150  1.0 3.0
   70    69    82    59  -0.95700  1.0 1.0
   70    69    82    59  -0.18200 -1.0 2.0
   70    69    82    59   0.29450  1.0 3.0
   70    69   -82    79  -0.95700  1.0 1.0
   70    69   -82    79  -0.18200 -1.0 2.0
   70    69   -82    79   0.29450  1.0 3.0
   70    69    82    83  -0.11250  1.0 3.0
   70    69    72    73  -0.11250  1.0 3.0
   70    69    72    74  -0.11250  1.0 3.0
   70    69    72    75  -0.11250  1.0 3.0
   70    76    79    80  -0.11250  1.0 3.0
   70    76    79    81  -0.11250  1.0 3.0
   70    76   -79    82  -0.95700  1.0 1.0
   70    76   -79    82  -0.18200 -1.0 2.0
   70    76   -79    82   0.29450  1.0 3.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   0.00000  1.0 1.0
   71    70    76    79   0.30150 -1.0 2.0
   76    79    82    59   0.56750  1.0 1.0
   76    79    82    59  -0.07550 -1.0 2.0
   76    79    82    59   0.20000  1.0 3.0
   76    79   -82    69   0.56750  1.0 1.0
   76    79   -82    69  -0.07550 -1.0 2.0
   76    79   -82    69   0.20000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   80    79    82    59   0.15000  1.0 3.0
   80    79    82    69   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   81    79    82    59   0.15000  1.0 3.0
   81    79    82    69   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   82    59    61    62   0.30150 -1.0 2.0
   82    59   -61    63   0.60050  1.0 1.0
   82    59   -61    63   0.05600 -1.0 2.0
   82    59   -61    63   0.26150  1.0 3.0
   82    69    70    71   0.30150 -1.0 2.0
   82    69   -70    76   0.60050  1.0 1.0
   82    69   -70    76   0.05600 -1.0 2.0
   82    69   -70    76   0.26150  1.0 3.0
   82    69    72    73   0.15000  1.0 3.0
   82    69    72    74   0.15000  1.0 3.0
   82    69    72    75   0.15000  1.0 3.0
   72    69    70    71   0.30150 -1.0 2.0
   72    69    70    76   0.60050  1.0 1.0
   72    69    70    76   0.05600 -1.0 2.0
   72    69    70    76   0.26150  1.0 3.0
   72    69    82    59   0.56750  1.0 1.0
   72    69    82    59  -0.07550 -1.0 2.0
   72    69    82    59   0.20000  1.0 3.0
   72    69    82    79   0.56750  1.0 1.0
   72    69    82    79  -0.07550 -1.0 2.0
   72    69    82    79   0.20000  1.0 3.0
   72    69    82    83   0.15000  1.0 3.0
   49    41    47    48  -0.64400  1.0 1.0
   49    41    47    48   0.26850 -1.0 2.0
   49    41    47    53   0.25700  1.0 1.0
   49    41    47    53   0.66200 -1.0 2.0
   49    41    47    53   0.04450  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   42    40    45    46  -0.66100  1.0 1.0
   42    40    45    46   1.20850 -1.0 2.0
   42    40    45    46  -0.36000  1.0 3.0
   45    40    42    43   7.00000 -1.0 2.0
   45    40    42    44   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   47    49    41    38  15.00000 -1.0 2.0
   41    53    47    48  10.50000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
   69    76    70    71  10.50000 -1.0 2.0
   33    45    40    42  15.00000 -1.0 2.0
   43    44    42    40  15.00000 -1.0 2.0
END
