* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    167    245     484
    1     0 S   NP   _N1_     1    28.18244    98.53976   -21.06271
    2     1 S   H    _HN1     2     1.02959    62.13839     6.23162
    3     1 S   H    _H1_     3     1.02836    53.35838   149.98395
    4     1 S   H    _H2_     4     1.02777    95.38643  -101.68442
    5     1 S   CT   _CA1     5     1.50129   152.00898    87.31549
    6     5 S   HC   _HA1     6     1.09577   105.21687   108.82774
    7     5 S   CO3  _C1_     7     1.53787   112.37385   -11.36878
    8     7 S   O2Z  _O11     8     1.26366   114.99439   -43.67674
    9     7 S   O2Z  _O12     9     1.26237   114.93183   135.43498
   10     5 S   CT   _CB1    10     1.53098   107.42477  -133.25329
   11    10 S   HC   HB11    11     1.09827   109.33079   -50.49927
   12    10 S   HC   HB12    12     1.09817   110.42455    66.05610
   13    10 S   CT   _CG1    13     1.53017   112.67164  -171.57377
   14    13 S   HC   HG11    14     1.09593   110.49411   -64.47332
   15    13 S   HC   HG12    15     1.09658   109.91805    54.72832
   16    13 S   C    _CD1    16     1.51839   112.31950   175.10107
   17    16 S   O    _OE1    17     1.22751   123.29425     0.50822
   18    16 S   N    _N2_    18     1.38568   111.71386  -179.50111
   19    18 S   H    _HN2    19     1.01564   118.99167     4.65665
   20    18 S   CT1  _CA2    20     1.45803   122.85141   177.78503
   21    20 S   HC   _HA2    21     1.09725   108.94401    23.57559
   22    20 S   C    _C2_    22     1.52857   106.93487   -93.61260
   23    22 S   O    _O2_    23     1.22972   122.90651   -31.90211
   24    20 S   CT   _CB2    32     1.53164   112.10220   146.77941
   25    24 S   HC   HB21    33     1.09507   110.37685    51.35294
   26    24 S   HC   HB22    34     1.09370   110.10859   170.47614
   27    22 S   N    _N3_    24     1.38489   112.59111   151.01869
   28    27 S   H    _HN3    25     1.01655   120.29359    -3.71647
   29    24 S   S    _SG2    35     1.82436   110.87876   -69.92302
   30    27 S   CT   _CA3    26     1.45403   122.59703   178.29705
   31    30 S   HC   HA31    27     1.09576   107.87909   -50.87475
   32    30 S   HC   HA32    28     1.09539   107.58406    65.48606
   33    29 S   CT   _C25    36     1.84342    99.81066  -178.40713
   34    33 S   HC   _H3_    37     1.09313   106.35730    35.91835
   35    30 S   CO3  _C3_    29     1.52924   114.15462  -173.24762
   36    35 S   O2Z  _O31    30     1.26336   115.98164   -14.24838
   37    35 S   O2Z  _O32    31     1.26401   114.55223   165.62020
   38    33 S   CM   _C11    38     1.53601   108.74523   154.85081
   39    33 S   CT   _C23    89     1.52894   110.59265   -79.22433
   40    39 S   HC   _H52    90     1.09543   112.55192   -55.55779
   41    39 S   HC   _H53    91     1.09531   111.18072    65.13734
   42    39 S   HC   _H54    92     1.09598   110.51564  -176.33767
   43    38 S   CMA  _C12    39     1.36987   122.96441  -106.56467
   44    43 S   OM   _O23    40     1.26926   124.71269   178.19723
   45    38 S   CT   _C24    79     1.52657   115.76261    72.90627
   46    45 S   HC   _H55    80     1.09591   112.39773  -158.13949
   47    45 S   HC   _H56    81     1.09573   110.71237   -38.72760
   48    43 S   OS   _O28    41     1.41678   111.46111    -1.49959
   49    45 S   OS   _O29    82     1.43809   108.66370    81.38808
   50    48 S   CT   _C19    42     1.43574   119.21048  -164.52567
   51    50 S   HC   _H42    43     1.09715   110.81149    14.45429
   52    49 S   CO4  _C13    83     1.36161   115.67856  -178.13764
   53    52 S   O    _O25    84     1.22332   126.38238     0.30001
   54    50 S   CT   _C15    44     1.55854   110.26905  -100.16870
   55    54 S   HC   _H37    45     1.09809   107.62011   178.04375
   56    54 S   HC   _H38    46     1.09844   108.23251    64.63020
   57    50 S   CT   _C18    60     1.55787   109.32840   129.98748
   58    57 S   HC   _H41    61     1.09981   107.84955   171.70895
   59    52 S   CT   _C22    85     1.49837   109.50265  -179.86152
   60    59 S   HC   _H49    86     1.09295   109.81393   -60.94106
   61    59 S   HC   _H50    87     1.09378   109.37080  -180.00000
   62    59 S   HC   _H51    88     1.09291   109.83384    60.95431
   63    54 S   CM   _C7_    47     1.51749   118.18687   -56.65252
   64    57 S   CM   _C8_    62     1.50549   115.20691   -70.37324
   65    63 S   CM   _C5_    48     1.35112   120.19084  -111.95296
   66    65 S   HC   _H32    49     1.08957   118.34955    -3.62461
   67    64 S   CO4  _C9_    63     1.47826   108.87214   152.05268
   68    67 S   O    _O24    64     1.21762   127.19470   168.09026
   69    64 S   CM   _C10    66     1.33686   131.09959   -26.59921
   70    69 S   HC   _H33    67     1.08392   121.81294    -0.97538
   71    69 S   HC   _H34    68     1.08551   121.64182   179.04325
   72    63 S   CT   _C21    75     1.50511   115.81801    66.75887
   73    72 S   HC   _H46    76     1.09203   110.88320   -78.66680
   74    72 S   HC   _H47    77     1.09281   112.89624   159.80526
   75    72 S   HC   _H48    78     1.09547   110.27694    41.41855
   76    65 S   CT   _C17    50     1.51335   126.10674   163.53556
   77    76 S   HC   _H40    51     1.09243   111.76422    25.23399
   78    91 S   OS   _O26    65     1.43803   107.33980   111.40948
   79    76 S   CT   _C14    52     1.55315   110.67975   -97.40570
   80    79 S   HC   _H35    53     1.09901   109.62406   -72.81996
   81    79 S   HC   _H36    54     1.09723   109.87907   172.65273
   82    76 S   OH   _O27    73     1.42530   108.20261   142.89312
   83    82 S   HO   _H58    74     0.97290   107.01143  -176.60783
   84    79 S   CM   _C6_    55     1.51940   111.17233    49.74310
   85    84 S   CM   _C4_    56     1.34836   118.18235   -85.27787
   86    85 S   HC   _H31    57     1.09020   117.56384   -11.47224
   87    84 S   CT   _C20    69     1.49859   115.86274    87.04267
   88    87 S   HC   _H43    70     1.09230   110.50821   -59.91550
   89    87 S   HC   _H44    71     1.09289   113.02203   178.55626
   90    87 S   HC   _H45    72     1.09510   109.80593    59.49517
   91    85 S   CT   _C16    58     1.49909   127.23519   157.01769
   92    91 S   HC   _H39    59     1.09454   111.87159    -6.26854
  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   9   5   4   3
  13   7   2   1   1  13   5   2   1   1  10   3   7   3   2  10
   6  16   8   5   4  14   5   4  14   7   3   2   1   1  10   9
  13   5   8   3   4   1   1   4   2   1   1   9   6   5  12   5
   4   2   1   8   7   3   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    45    46    47    49    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    50    45    46    47    49    52    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    50    51    54    57    45    46    47    49  
   48    50    45  
   46    47    49    52    53    59    48  
   47    49    52  
   49    52  
   50    51    54    55    56    63    91    57    58    64  
   52    53    59    60    61    62  
   51    54    55    56    63    65    85    91    92    57    58    64    67    78    69    72  
   54    55    56    63    91    57    58    64  
   53    59    60    61    62  
   59    60    61    62  
   55    56    63    65    66    76    91    57    58    64    72    73    74    75  
   56    63    65    57    72  
   63    65    57    72  
   58    64    67    68    78    69    70    71    63    84    85    86    91    92  
   64    67    78    69    85    91    92  
   60    61    62  
   61    62  
   62  
    0  
   65    66    76    77    79    82    72    73    74    75  
   67    68    78    69    70    71    85    91    92  
   66    76    77    79    80    81    84    82    83    72    73    74    75  
   76    77    79    82    72  
   68    78    69    70    71    85    91    92  
   78    69    91  
   70    71    78    91  
   71  
    0  
   73    74    75    76  
   74    75  
   75  
    0  
   77    79    80    81    84    85    87    82    83  
   79    80    81    84    82    83  
   84    85    86    91    92  
   80    81    84    85    86    91    87    88    89    90    82    83  
   81    84    85    87    82  
   84    85    87    82  
   83    84  
    0  
   85    86    91    92    87    88    89    90  
   86    91    92    87    88    89    90  
   91    92    87  
   88    89    90    91  
   89    90  
   90  
    0  
   92  
    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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   85   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.030000   1.3810   1.2100   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    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   317.000  1.510
   63    65   549.000  1.340
   63    72   317.000  1.510
   65    66   340.000  1.080
   65    76   317.000  1.510
   76    77   340.000  1.090
   76    79   268.000  1.529
   76    82   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   317.000  1.510
   84    85   549.000  1.340
   84    87   317.000  1.510
   85    86   340.000  1.080
   85    91   317.000  1.510
   91    92   340.000  1.090
   91    57   268.000  1.529
   91    78   320.000  1.410
   57    58   340.000  1.090
   57    64   317.000  1.510
   64    67   320.000  1.462
   64    69   549.000  1.340
   67    68   570.000  1.229
   67    78   214.000  1.327
   69    70   340.000  1.080
   69    71   340.000  1.080
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   82    83   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    52   214.000  1.327
   52    53   570.000  1.229
   52    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    49    85.00000  110.90400
   43    48    50    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    50    51    35.00000  109.50000
   48    50    54    50.00000  109.50000
   48    50    57    50.00000  109.50000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    70.00000  112.02700
   50    57    91    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    64    70.00000  112.02700
   54    50    51    37.50000  110.70000
   54    63    65    70.00000  124.00000
   54    63    72    65.00000  117.92700
   56    54    55    33.00000  107.80000
   63    54    55    35.00000  109.50000
   63    54    56    35.00000  109.50000
   63    65    66    35.00000  120.00000
   63    65    76    70.00000  124.00000
   63    72    73    35.00000  109.50000
   63    72    74    35.00000  109.50000
   63    72    75    35.00000  109.50000
   65    76    77    35.00000  109.50000
   65    76    79    70.00000  112.02700
   65    76    82    90.00000  110.39200
   76    65    66    35.00000  117.00000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    84    70.00000  112.02700
   76    82    83    55.00000  108.50000
   79    76    77    37.50000  110.70000
   79    84    85    70.00000  124.00000
   79    84    87    65.00000  117.92700
   81    79    80    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    81    35.00000  109.50000
   84    85    86    35.00000  120.00000
   84    85    91    70.00000  124.00000
   84    87    88    35.00000  109.50000
   84    87    89    35.00000  109.50000
   84    87    90    35.00000  109.50000
   85    91    92    35.00000  109.50000
   85    91    57    70.00000  112.02700
   85    91    78    85.00000  110.90400
   91    85    86    35.00000  117.00000
   91    57    58    37.50000  110.70000
   91    57    64    70.00000  112.02700
   91    78    67    83.00000  116.90000
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    91    92    37.50000  110.70000
   57    64    67    65.00000  116.34900
   57    64    69    70.00000  124.00000
   64    57    58    35.00000  109.50000
   64    67    68    80.00000  123.72100
   64    67    78    90.00000  111.29400
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   78    91    92    35.00000  109.50000
   78    91    57    50.00000  109.50000
   78    67    68    83.00000  123.40000
   69    64    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   87    84    85    70.00000  124.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    79    50.00000  109.50000
   72    63    65    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   45    38    43    70.00000  124.00000
   45    49    52    83.00000  116.90000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   49    52    53    83.00000  123.40000
   49    52    59    81.00000  111.40000
   52    59    60    35.00000  109.50000
   52    59    61    35.00000  109.50000
   52    59    62    35.00000  109.50000
   59    52    53    80.00000  120.40000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    49   0.09700  1.0 1.0
   33    38    45    49   0.15600 -1.0 2.0
   33    38    45    49  -0.50800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    50  -2.26850  1.0 1.0
   38    43    48    50   3.39050 -1.0 2.0
   38    45    49    52  -0.82050  1.0 1.0
   38    45    49    52   0.00600 -1.0 2.0
   38    45    49    52   0.04400  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    49   0.39000  1.0 1.0
   43    38    45    49  -0.05800 -1.0 2.0
   43    38    45    49  -0.55150  1.0 3.0
   43    48    50    51   0.08050  1.0 3.0
   43    48    50    54  -0.46850  1.0 1.0
   43    48    50    54   0.09300 -1.0 2.0
   43    48    50    54  -0.12850  1.0 3.0
   43    48    50    57  -0.46850  1.0 1.0
   43    48    50    57   0.09300 -1.0 2.0
   43    48    50    57  -0.12850  1.0 3.0
   44    43    48    50   2.00000 -1.0 2.0
   48    50    54    55   0.23400  1.0 3.0
   48    50    54    56   0.23400  1.0 3.0
   48    50    54    63   0.61850  1.0 1.0
   48    50    54    63  -0.22750 -1.0 2.0
   48    50    54    63   0.15300  1.0 3.0
   48    50    57    91   0.62750  1.0 1.0
   48    50    57    91  -0.30950 -1.0 2.0
   48    50    57    91   0.27300  1.0 3.0
   48    50    57    58   0.23400  1.0 3.0
   48    50    57    64   0.61850  1.0 1.0
   48    50    57    64  -0.22750 -1.0 2.0
   48    50    57    64   0.15300  1.0 3.0
   50    54    63    65   0.09850  1.0 1.0
   50    54    63    65   0.15250 -1.0 2.0
   50    54    63    65  -0.50650  1.0 3.0
   50    54    63    72   0.46850  1.0 1.0
   50    54    63    72   0.08550 -1.0 2.0
   50    54    63    72   0.09800  1.0 3.0
   50    57    64    67   0.09700  1.0 1.0
   50    57    64    67   0.15600 -1.0 2.0
   50    57    64    67  -0.50800  1.0 3.0
   50    57    64    69   0.09850  1.0 1.0
   50    57    64    69   0.15250 -1.0 2.0
   50    57    64    69  -0.50650  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    63   0.15000  1.0 3.0
   51    50    57    91   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    64   0.15000  1.0 3.0
   54    50    57    91   0.56750  1.0 1.0
   54    50    57    91  -0.07550 -1.0 2.0
   54    50    57    91   0.20000  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    64   0.34400  1.0 1.0
   54    50    57    64   0.09450 -1.0 2.0
   54    50    57    64   0.11100  1.0 3.0
   54    63    65    66   7.00000 -1.0 2.0
   54    63    65    76   7.00000 -1.0 2.0
   54    63    72    73   0.34800  1.0 3.0
   54    63    72    74   0.34800  1.0 3.0
   54    63    72    75   0.34800  1.0 3.0
   55    54    63    65   0.00000  1.0 1.0
   55    54    63    72   0.34800  1.0 3.0
   56    54    63    65   0.00000  1.0 1.0
   56    54    63    72   0.34800  1.0 3.0
   63    65    76    77   0.00000  1.0 1.0
   63    65    76    79   0.09850  1.0 1.0
   63    65    76    79   0.15250 -1.0 2.0
   63    65    76    79  -0.50650  1.0 3.0
   63    65    76    82   0.67800  1.0 1.0
   63    65    76    82   0.47050 -1.0 2.0
   63    65    76    82  -0.62500  1.0 3.0
   65    63    72    73   0.00000  1.0 1.0
   65    63    72    74   0.00000  1.0 1.0
   65    63    72    75   0.00000  1.0 1.0
   65    76    79    80   0.15000  1.0 3.0
   65    76    79    81   0.15000  1.0 3.0
   65    76    79    84   0.31000  1.0 1.0
   65    76    79    84   0.14700 -1.0 2.0
   65    76    79    84   0.07550  1.0 3.0
   65    76    82    83  -0.07800  1.0 1.0
   65    76    82    83  -0.21500 -1.0 2.0
   65    76    82    83  -0.03150  1.0 3.0
   66    65    76    77   0.33100  1.0 3.0
   66    65    76    79   0.00000  1.0 1.0
   66    65    76    82   0.00000  1.0 1.0
   76    79    84    85   0.09850  1.0 1.0
   76    79    84    85   0.15250 -1.0 2.0
   76    79    84    85  -0.50650  1.0 3.0
   76    79    84    87   0.46850  1.0 1.0
   76    79    84    87   0.08550 -1.0 2.0
   76    79    84    87   0.09800  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    84   0.15000  1.0 3.0
   77    76    82    83   0.19450  1.0 3.0
   79    76    82    83  -0.11600  1.0 1.0
   79    76    82    83  -0.09450 -1.0 2.0
   79    76    82    83   0.21250  1.0 3.0
   79    84    85    86   7.00000 -1.0 2.0
   79    84    85    91   7.00000 -1.0 2.0
   79    84    87    88   0.34800  1.0 3.0
   79    84    87    89   0.34800  1.0 3.0
   79    84    87    90   0.34800  1.0 3.0
   80    79    84    85   0.00000  1.0 1.0
   80    79    84    87   0.34800  1.0 3.0
   81    79    84    85   0.00000  1.0 1.0
   81    79    84    87   0.34800  1.0 3.0
   84    85    91    92   0.00000  1.0 1.0
   84    85    91    57   0.09850  1.0 1.0
   84    85    91    57   0.15250 -1.0 2.0
   84    85    91    57  -0.50650  1.0 3.0
   84    85    91    78   0.39000  1.0 1.0
   84    85    91    78  -0.05800 -1.0 2.0
   84    85    91    78  -0.55150  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   85    84    87    90   0.00000  1.0 1.0
   85    91    57    50   0.34400  1.0 1.0
   85    91    57    50   0.09450 -1.0 2.0
   85    91    57    50   0.11100  1.0 3.0
   85    91    57    58   0.15000  1.0 3.0
   85    91    57    64   0.31000  1.0 1.0
   85    91    57    64   0.14700 -1.0 2.0
   85    91    57    64   0.07550  1.0 3.0
   85    91    78    67  -0.82050  1.0 1.0
   85    91    78    67   0.00600 -1.0 2.0
   85    91    78    67   0.04400  1.0 3.0
   86    85    91    92   0.33100  1.0 3.0
   86    85    91    57   0.00000  1.0 1.0
   86    85    91    78   0.00000  1.0 1.0
   91    57   -64    67   0.09700  1.0 1.0
   91    57   -64    67   0.15600 -1.0 2.0
   91    57   -64    67  -0.50800  1.0 3.0
   91    57    64    69   0.09850  1.0 1.0
   91    57    64    69   0.15250 -1.0 2.0
   91    57    64    69  -0.50650  1.0 3.0
   92    91    57    50   0.15000  1.0 3.0
   92    91    57    58   0.15000  1.0 3.0
   92    91    57    64   0.15000  1.0 3.0
   92    91    78    67   0.08050  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    63   0.34400  1.0 1.0
   57    50    54    63   0.09450 -1.0 2.0
   57    50    54    63   0.11100  1.0 3.0
   57    91   -78    67  -0.25900  1.0 1.0
   57    91   -78    67  -0.47000 -1.0 2.0
   57    91   -78    67   0.11750  1.0 3.0
   57    64    67    68  -0.64400  1.0 1.0
   57    64    67    68   0.26850 -1.0 2.0
   57    64   -67    78  -0.15000  1.0 1.0
   57    64   -67    78   0.89550 -1.0 2.0
   57    64   -67    78  -0.06900  1.0 3.0
   57    64    69    70   7.00000 -1.0 2.0
   57    64    69    71   7.00000 -1.0 2.0
   58    57    64    67   0.15000  1.0 3.0
   58    57    64    69   0.00000  1.0 1.0
   64    67   -78    91   2.00000 -1.0 2.0
   67    64    69    70   7.00000 -1.0 2.0
   67    64    69    71   7.00000 -1.0 2.0
   68    67    78    91   3.00000 -1.0 2.0
   78    91    57    50   0.62750  1.0 1.0
   78    91    57    50  -0.30950 -1.0 2.0
   78    91    57    50   0.27300  1.0 3.0
   78    91    57    58   0.23400  1.0 3.0
   78    91   -57    64   0.61850  1.0 1.0
   78    91   -57    64  -0.22750 -1.0 2.0
   78    91   -57    64   0.15300  1.0 3.0
   69    64    67    68   1.00000 -1.0 2.0
   69    64    67    78  -0.56150  1.0 1.0
   69    64    67    78   2.19150 -1.0 2.0
   87    84    85    86   7.00000 -1.0 2.0
   87    84    85    91   7.00000 -1.0 2.0
   82    76    79    80   0.23400  1.0 3.0
   82    76    79    81   0.23400  1.0 3.0
   82    76    79    84   1.05650  1.0 1.0
   82    76    79    84   0.15600 -1.0 2.0
   82    76    79    84   0.53150  1.0 3.0
   72    63    65    66   7.00000 -1.0 2.0
   72    63    65    76   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    49    52    53   3.00000 -1.0 2.0
   45    49    52    59   1.63150  1.0 1.0
   45    49    52    59   2.92000 -1.0 2.0
   46    45    49    52   0.08050  1.0 3.0
   47    45    49    52   0.08050  1.0 3.0
   49    52    59    60   0.00000  1.0 1.0
   49    52    59    61   0.00000  1.0 1.0
   49    52    59    62   0.00000  1.0 1.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    61   0.00000  1.0 1.0
   53    52    59    62   0.00000  1.0 1.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    48    43    38  15.00000 -1.0 2.0
   54    72    63    65   1.10000 -1.0 2.0
   76    66    65    63   1.10000 -1.0 2.0
   79    87    84    85   1.10000 -1.0 2.0
   91    86    85    84   1.10000 -1.0 2.0
   57    67    64    69   1.10000 -1.0 2.0
   64    78    67    68  10.50000 -1.0 2.0
   70    71    69    64   1.10000 -1.0 2.0
   49    59    52    53  10.50000 -1.0 2.0
END
