* LIGAND DATABASE FILE (OPLS2005)
*
001      91    90    162    240     479
    1     0 S   NP   _N1_     1    29.28440    94.46908   -24.81557
    2     1 S   H    _HN1     2     1.02828    25.95682  -176.21183
    3     1 S   H    _H1_     3     1.02787   115.03875   -96.87628
    4     1 S   H    _H2_     4     1.02950    81.25317     9.38041
    5     1 S   CT   _CA1     5     1.50117   124.06892   118.15012
    6     5 S   HC   _HA1     6     1.09573   105.19520    84.50076
    7     5 S   CO3  _C1_     7     1.53791   112.44569   -35.74218
    8     7 S   O2Z  _O11     8     1.26375   115.00849   -42.88363
    9     7 S   O2Z  _O12     9     1.26239   114.94623   136.22123
   10     5 S   CT   _CB1    10     1.53074   107.41618  -157.51342
   11    10 S   HC   HB11    11     1.09834   109.38655   -49.61129
   12    10 S   HC   HB12    12     1.09813   110.44558    67.00094
   13    10 S   CT   _CG1    13     1.52992   112.60033  -170.57663
   14    13 S   HC   HG11    14     1.09582   110.64090   -65.52288
   15    13 S   HC   HG12    15     1.09670   109.77900    53.71034
   16    13 S   C    _CD1    16     1.51800   112.19846   174.17967
   17    16 S   O    _OE1    17     1.22734   123.25429     7.42545
   18    16 S   N    _N2_    18     1.38617   111.68770  -172.74704
   19    18 S   H    _HN2    19     1.01570   118.94426     1.72578
   20    18 S   CT1  _CA2    20     1.46201   123.43284   177.41215
   21    20 S   HC   _HA2    21     1.09718   109.54909     3.00035
   22    20 S   C    _C2_    22     1.53513   107.82329  -112.72011
   23    22 S   O    _O2_    23     1.23016   122.39889  -141.39885
   24    20 S   CT   _CB2    32     1.53250   111.75262   125.23382
   25    24 S   HC   HB21    33     1.09601   110.09164    58.56074
   26    24 S   HC   HB22    34     1.09442   109.76665   177.28921
   27    22 S   N    _N3_    24     1.38368   113.42840    45.06692
   28    27 S   H    _HN3    25     1.01565   119.52167    -1.13263
   29    24 S   S    _SG2    35     1.82876   112.01101   -62.06372
   30    27 S   CT   _CA3    26     1.45324   123.37109   177.57796
   31    30 S   HC   HA31    27     1.09527   107.30214   -74.44302
   32    30 S   HC   HA32    28     1.09554   108.37259    42.15131
   33    29 S   CT   _C13    36     1.85029    99.26130  -178.59277
   34    33 S   HC   _H5_    37     1.09757   105.81790   -32.49382
   35    30 S   CO3  _C3_    29     1.53029   113.89833   164.60444
   36    35 S   O2Z  _O31    30     1.26409   116.08529     7.65225
   37    35 S   O2Z  _O32    31     1.26442   114.50899  -172.17888
   38    33 S   CT   _C14    38     1.53993   108.62636    85.07568
   39    38 S   HC   _H19    39     1.09653   110.79850    69.30621
   40    38 S   HC   _H20    40     1.09376   110.66361   -46.52639
   41    33 S   CT   _C12    64     1.55102   111.81537  -148.55291
   42    41 S   HC   _H4_    65     1.09685   108.05547   175.61715
   43    38 S   CM   _C15    41     1.50372   112.84043  -169.30859
   44    43 S   HC   _H21    42     1.08857   115.79942   -83.88823
   45    41 S   CM   _C11    66     1.50650   115.72835   -61.20419
   46    45 S   HC   _H18    67     1.08739   117.20328    65.44339
   47    41 S   OH   _O35    90     1.43118   108.95038    61.67258
   48    47 S   HO   _H33    91     0.97255   107.66298  -179.54889
   49    43 S   CM   _C16    43     1.34272   126.74968    97.29841
   50    49 S   HC   _H22    44     1.08931   117.15128   179.35502
   51    45 S   CM   _C10    68     1.34226   123.74407  -115.39254
   52    51 S   HC   _H17    69     1.08762   119.51980     0.26688
   53    49 S   CT   _C17    45     1.50247   127.21670    -2.43799
   54    53 S   HC   _H23    46     1.09267   112.10899    -9.62071
   55    53 S   HC   _H24    47     1.09742   107.99544  -124.72894
   56    51 S   CT   _C9_    70     1.50251   123.74532  -179.68847
   57    56 S   HC   _H3_    71     1.09638   111.39588     2.82660
   58    53 S   CM   _C18    48     1.50109   111.63980   116.73961
   59    58 S   HC   _H25    49     1.08945   115.31634    70.42652
   60    56 S   CT   _C8_    72     1.53353   112.88960  -120.60247
   61    60 S   HC   _H15    73     1.09838   109.84318   -58.20405
   62    60 S   HC   _H16    74     1.09814   108.58847  -172.91809
   63    56 S   OH   _O36    88     1.42780   108.12602   120.44798
   64    63 S   HO   _H34    89     0.97265   107.45070   -59.73916
   65    58 S   CM   _C19    50     1.34239   127.71539  -110.94207
   66    65 S   HC   _H26    51     1.08916   117.12127  -178.99089
   67    60 S   CT   _C7_    75     1.53020   113.30708    65.14409
   68    67 S   HC   _H13    76     1.09525   109.96764   -62.42569
   69    67 S   HC   _H14    77     1.09669   109.58015    55.27672
   70    65 S   CT   _C20    52     1.50111   127.71409     2.47005
   71    70 S   HC   _H27    53     1.09255   111.80883     8.88619
   72    70 S   HC   _H28    54     1.09702   107.98253   125.36761
   73    67 S   CT   _C6_    78     1.52986   111.33585   176.63629
   74    73 S   HC   _H11    79     1.09679   109.60961   -59.18562
   75    73 S   HC   _H12    80     1.09684   109.56988    58.13636
   76    70 S   CT   _C21    55     1.52953   111.60524  -114.04438
   77    76 S   HC   _H29    56     1.09755   109.83301   -56.52730
   78    76 S   HC   _H30    57     1.09760   109.72360    60.58089
   79    73 S   CT   _C5_    81     1.52860   111.25279   179.44468
   80    79 S   HC   _H9_    82     1.09622   109.86172    58.92178
   81    79 S   HC   _H10    83     1.09630   109.86629   -58.79285
   82    76 S   CT   _C22    58     1.52619   111.14620  -178.01269
   83    82 S   HC   _H31    59     1.09691   109.49336   -58.54722
   84    82 S   HC   _H32    60     1.09722   109.39624    58.62353
   85    79 S   CT   _C4_    84     1.52028   111.49762  -179.92598
   86    85 S   HC   _H6_    85     1.09469   110.99923    60.26530
   87    85 S   HC   _H7_    86     1.09468   111.00172   -60.25512
   88    85 S   HC   _H8_    87     1.09449   110.26069  -179.98022
   89    82 S   CO3  _C23    61     1.53178   115.33327   179.76344
   90    89 S   O2Z  _O34    62     1.26526   113.99795   178.01338
   91    89 S   O2Z  _O33    63     1.26143   116.67010    -2.50366
  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  10   5   4   3
  14   8   2   1   1  11   5   4   9   5   7   3   9   4   2   1
   7   4   9   4   7   4   3  10   6   7   3  11   6   5   2   1
   8   4   9   5   4   9   5   4   9   5   4   8   5   4   6   5
   4   5   4   3   3   2   1   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    45    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    41    42    45    46    51    47    48  
   38    39    40    43    41    42    45    47  
   36    37  
   37  
    0  
   39    40    43    44    49    50    53    41    42    45    47  
   40    43    44    49    41  
   43    44    49    41  
   42    45    46    51    52    56    47    48    43  
   45    46    51    47    48  
   44    49    50    53    54    55    58  
   49    50    53  
   46    51    52    56    57    60    63    47    48  
   51    52    56    47  
   48    51  
    0  
   50    53    54    55    58    59    65  
   53    54    55    58  
   52    56    57    60    61    62    67    63    64  
   56    57    60    63  
   54    55    58    59    65    66    70  
   55    58    59    65  
   58    59    65  
   57    60    61    62    67    68    69    73    63    64  
   60    61    62    67    63    64  
   59    65    66    70    71    72    76  
   65    66    70  
   61    62    67    68    69    73    74    75    79    63    64  
   62    67    68    69    73    63  
   67    68    69    73    63  
   64    67  
    0  
   66    70    71    72    76    77    78    82  
   70    71    72    76  
   68    69    73    74    75    79    80    81    85  
   69    73    74    75    79  
   73    74    75    79  
   71    72    76    77    78    82    83    84    89  
   72    76    77    78    82  
   76    77    78    82  
   74    75    79    80    81    85    86    87    88  
   75    79    80    81    85  
   79    80    81    85  
   77    78    82    83    84    89    90    91  
   78    82    83    84    89  
   82    83    84    89  
   80    81    85    86    87    88  
   81    85    86    87    88  
   85    86    87    88  
   83    84    89    90    91  
   84    89    90    91  
   89    90    91  
   86    87    88  
   87    88  
   88  
    0  
   90    91  
   91  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.510
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   340.000  1.080
   49    53   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    59   340.000  1.080
   58    65   549.000  1.340
   65    66   340.000  1.080
   65    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    89   317.000  1.522
   89    90   656.000  1.250
   89    91   656.000  1.250
   41    42   340.000  1.090
   41    45   317.000  1.510
   41    47   320.000  1.410
   45    46   340.000  1.080
   45    51   549.000  1.340
   51    52   340.000  1.080
   51    56   317.000  1.510
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   63    64   553.000  0.945
   47    48   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.02700
   33    41    42    37.50000  110.70000
   33    41    45    70.00000  112.02700
   33    41    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    35.00000  117.00000
   38    43    49    70.00000  124.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    49    50    35.00000  120.00000
   43    49    53    70.00000  124.00000
   49    43    44    35.00000  120.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    58    70.00000  110.12100
   53    49    50    35.00000  117.00000
   53    58    59    35.00000  117.00000
   53    58    65    70.00000  124.00000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    65    66    35.00000  120.00000
   58    65    70    70.00000  124.00000
   65    58    59    35.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    76    70.00000  112.02700
   70    65    66    35.00000  117.00000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    82    58.35000  112.70000
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    89    70.00000  109.69300
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    89    90    70.00000  117.00000
   82    89    91    70.00000  117.00000
   84    82    83    33.00000  107.80000
   89    82    83    35.00000  109.50000
   89    82    84    35.00000  109.50000
   91    89    90    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    35.00000  117.00000
   41    45    51    70.00000  124.00000
   41    47    48    55.00000  108.50000
   45    41    42    35.00000  109.50000
   45    51    52    35.00000  120.00000
   45    51    56    70.00000  124.00000
   51    45    46    35.00000  120.00000
   51    56    57    35.00000  109.50000
   51    56    60    70.00000  112.02700
   51    56    63    90.00000  110.39200
   56    51    52    35.00000  117.00000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    67    58.35000  112.70000
   56    63    64    55.00000  108.50000
   60    56    57    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    73    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    79    58.35000  112.70000
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    85    58.35000  112.70000
   75    73    74    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   79    85    88    37.50000  110.70000
   81    79    80    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   63    56    57    35.00000  109.50000
   63    56    60    50.00000  109.50000
   47    41    42    35.00000  109.50000
   47    41    45    90.00000  110.39200
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   33    38    43    44   0.00000  1.0 1.0
   33    38    43    49   0.09850  1.0 1.0
   33    38    43    49   0.15250 -1.0 2.0
   33    38    43    49  -0.50650  1.0 3.0
   33    41    45    46   0.00000  1.0 1.0
   33    41    45    51   0.09850  1.0 1.0
   33    41    45    51   0.15250 -1.0 2.0
   33    41    45    51  -0.50650  1.0 3.0
   33    41    47    48  -0.11600  1.0 1.0
   33    41    47    48  -0.09450 -1.0 2.0
   33    41    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    47   0.23400  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.34400  1.0 1.0
   38    33    41    45   0.09450 -1.0 2.0
   38    33    41    45   0.11100  1.0 3.0
   38    33    41    47   0.86500  1.0 1.0
   38    33    41    47  -0.17500 -1.0 2.0
   38    33    41    47   0.20800  1.0 3.0
   38    43    49    50   7.00000 -1.0 2.0
   38    43    49    53   7.00000 -1.0 2.0
   39    38    43    44   0.33100  1.0 3.0
   39    38    43    49   0.00000  1.0 1.0
   40    38    43    44   0.33100  1.0 3.0
   40    38    43    49   0.00000  1.0 1.0
   43    49    53    54   0.00000  1.0 1.0
   43    49    53    55   0.00000  1.0 1.0
   43    49    53    58  -0.28300  1.0 1.0
   43    49    53    58   0.26700 -1.0 2.0
   43    49    53    58  -0.63300  1.0 3.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    53   7.00000 -1.0 2.0
   49    53    58    59   0.00000  1.0 1.0
   49    53    58    65  -0.28300  1.0 1.0
   49    53    58    65   0.26700 -1.0 2.0
   49    53    58    65  -0.63300  1.0 3.0
   50    49    53    54   0.33100  1.0 3.0
   50    49    53    55   0.33100  1.0 3.0
   50    49    53    58   0.00000  1.0 1.0
   53    58    65    66   7.00000 -1.0 2.0
   53    58    65    70   7.00000 -1.0 2.0
   54    53    58    59   0.33100  1.0 3.0
   54    53    58    65   0.00000  1.0 1.0
   55    53    58    59   0.33100  1.0 3.0
   55    53    58    65   0.00000  1.0 1.0
   58    65    70    71   0.00000  1.0 1.0
   58    65    70    72   0.00000  1.0 1.0
   58    65    70    76   0.09850  1.0 1.0
   58    65    70    76   0.15250 -1.0 2.0
   58    65    70    76  -0.50650  1.0 3.0
   59    58    65    66   7.00000 -1.0 2.0
   59    58    65    70   7.00000 -1.0 2.0
   65    70    76    77   0.15000  1.0 3.0
   65    70    76    78   0.15000  1.0 3.0
   65    70    76    82   0.34400  1.0 1.0
   65    70    76    82   0.09450 -1.0 2.0
   65    70    76    82   0.11100  1.0 3.0
   66    65    70    71   0.33100  1.0 3.0
   66    65    70    72   0.33100  1.0 3.0
   66    65    70    76   0.00000  1.0 1.0
   70    76    82    83   0.15000  1.0 3.0
   70    76    82    84   0.15000  1.0 3.0
   70    76    82    89  -1.63150  1.0 1.0
   70    76    82    89  -0.43550 -1.0 2.0
   70    76    82    89   0.24500  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    82   0.15000  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    82   0.15000  1.0 3.0
   76    82    89    90   0.41150 -1.0 2.0
   76    82    89    91   0.41150 -1.0 2.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    89  -0.11250  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    89  -0.11250  1.0 3.0
   83    82    89    90   0.00000  1.0 1.0
   83    82    89    91   0.00000  1.0 1.0
   84    82    89    90   0.00000  1.0 1.0
   84    82    89    91   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.34400  1.0 1.0
   41    33    38    43   0.09450 -1.0 2.0
   41    33    38    43   0.11100  1.0 3.0
   41    45    51    52   7.00000 -1.0 2.0
   41    45    51    56   7.00000 -1.0 2.0
   42    41    45    46   0.33100  1.0 3.0
   42    41    45    51   0.00000  1.0 1.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.07800  1.0 1.0
   45    41    47    48  -0.21500 -1.0 2.0
   45    41    47    48  -0.03150  1.0 3.0
   45    51    56    57   0.00000  1.0 1.0
   45    51    56    60   0.09850  1.0 1.0
   45    51    56    60   0.15250 -1.0 2.0
   45    51    56    60  -0.50650  1.0 3.0
   45    51    56    63   0.67800  1.0 1.0
   45    51    56    63   0.47050 -1.0 2.0
   45    51    56    63  -0.62500  1.0 3.0
   46    45    51    52   7.00000 -1.0 2.0
   46    45    51    56   7.00000 -1.0 2.0
   51    56    60    61   0.15000  1.0 3.0
   51    56    60    62   0.15000  1.0 3.0
   51    56    60    67   0.34400  1.0 1.0
   51    56    60    67   0.09450 -1.0 2.0
   51    56    60    67   0.11100  1.0 3.0
   51    56    63    64  -0.07800  1.0 1.0
   51    56    63    64  -0.21500 -1.0 2.0
   51    56    63    64  -0.03150  1.0 3.0
   52    51    56    57   0.33100  1.0 3.0
   52    51    56    60   0.00000  1.0 1.0
   52    51    56    63   0.00000  1.0 1.0
   56    60    67    68   0.15000  1.0 3.0
   56    60    67    69   0.15000  1.0 3.0
   56    60    67    73   0.56750  1.0 1.0
   56    60    67    73  -0.07550 -1.0 2.0
   56    60    67    73   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    67   0.15000  1.0 3.0
   57    56    63    64   0.19450  1.0 3.0
   60    56    63    64  -0.11600  1.0 1.0
   60    56    63    64  -0.09450 -1.0 2.0
   60    56    63    64   0.21250  1.0 3.0
   60    67    73    74   0.15000  1.0 3.0
   60    67    73    75   0.15000  1.0 3.0
   60    67    73    79   0.56750  1.0 1.0
   60    67    73    79  -0.07550 -1.0 2.0
   60    67    73    79   0.20000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    73   0.15000  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   62    60    67    73   0.15000  1.0 3.0
   67    73    79    80   0.15000  1.0 3.0
   67    73    79    81   0.15000  1.0 3.0
   67    73    79    85   0.56750  1.0 1.0
   67    73    79    85  -0.07550 -1.0 2.0
   67    73    79    85   0.20000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    79   0.15000  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    79   0.15000  1.0 3.0
   73    79    85    86   0.15000  1.0 3.0
   73    79    85    87   0.15000  1.0 3.0
   73    79    85    88   0.15000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    85   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    85   0.15000  1.0 3.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    87   0.15000  1.0 3.0
   80    79    85    88   0.15000  1.0 3.0
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   81    79    85    88   0.15000  1.0 3.0
   63    56    60    61   0.23400  1.0 3.0
   63    56    60    62   0.23400  1.0 3.0
   63    56    60    67   0.86500  1.0 1.0
   63    56    60    67  -0.17500 -1.0 2.0
   63    56    60    67   0.20800  1.0 3.0
   47    41    45    46   0.00000  1.0 1.0
   47    41    45    51   0.67800  1.0 1.0
   47    41    45    51   0.47050 -1.0 2.0
   47    41    45    51  -0.62500  1.0 3.0
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
   38    44    43    49  15.00000 -1.0 2.0
   53    50    49    43  15.00000 -1.0 2.0
   53    59    58    65  15.00000 -1.0 2.0
   70    66    65    58  15.00000 -1.0 2.0
   90    82    89    91  10.50000 -1.0 2.0
   41    46    45    51  15.00000 -1.0 2.0
   56    52    51    45  15.00000 -1.0 2.0
END
