* LIGAND DATABASE FILE (OPLS2005)
*
001      91    95    170    280     498
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047    85.76417    46.96321
    3     1 S   H    _H1_     3     1.02190    33.57512  -179.24983
    4     1 S   H    _H2_     4     1.02126    94.39238   -61.52462
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.81888    98.13754  -158.21891
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   C5B  _C21    37     1.49952   108.39330    60.01123
   38    33 S   C    _C19    52     1.51628   110.54004   176.82590
   39    38 S   O    _O33    53     1.22531   125.02231   -38.95457
   40    37 S   C5A  _C22    38     1.34824   129.39789  -120.84088
   41    40 S   HA   _H22    39     1.07973   126.53574    -0.00000
   42    38 S   NM   _N6_    54     1.37904   110.15331   144.85472
   43    40 S   NA   _N7_    40     1.41179   112.55919  -179.95577
   44    43 S   H    _H23    41     1.01789   123.81506  -179.95154
   45    42 S   C    _C18    55     1.30380   110.68597   -10.82082
   46    45 S   O    _O34    56     1.24656   128.54549   176.14644
   47    43 S   C56A _C23    42     1.28699   107.81679    -0.05595
   48    33 S   CT   _C17    57     1.54173   116.63331   -68.40740
   49    48 S   HC   _H3_    58     1.09563   112.19105   101.79342
   50    47 S   CA   _C24    43     1.46781   129.07586   179.98022
   51    50 S   HA   _H24    44     1.08206   120.44401     0.08623
   52    48 S   C5B  _C10    59     1.50150   116.49932   -24.53949
   53    50 S   CA   _C25    45     1.34309   116.92441  -179.96574
   54    53 S   HA   _H25    46     1.08400   120.91640   179.94766
   55    52 S   C5A  _C9_    60     1.47535   123.72945   -52.02811
   56    55 S   HA   _H17    61     1.09653   123.07089     0.07402
   57    53 S   CA   _C26    47     1.45089   121.12300     0.04846
   58    57 S   HA   _H26    48     1.08385   118.65669   179.81233
   59    55 S   NA   _N5_    62     1.28689   112.51251  -179.97202
   60    57 S   CA   _C27    49     1.44760   122.58823    -0.06561
   61    60 S   HA   _H27    50     1.08232   119.26020  -180.00000
   62    59 S   C56A _C12    63     1.39952   103.86501     0.02798
   63    59 S   CT   _C8_    73     1.45524   131.75071   179.97202
   64    63 S   HC   _H15    74     1.09373   107.93296   150.00597
   65    63 S   HC   _H16    75     1.09430   108.61590    32.55968
   66    37 S   C56B _C28    51     1.44197   125.38253    59.16003
   67    62 S   CA   _C13    64     1.44615   126.66083   179.97202
   68    67 S   HA   _H18    65     1.08277   120.76122     0.03426
   69    63 S   CT   _C7_    76     1.52163   109.48210   -89.63965
   70    69 S   HC   _H13    77     1.09690   109.60008    59.19296
   71    69 S   HC   _H14    78     1.09597   108.69807   -57.62335
   72    67 S   CA   _C14    66     1.34832   118.24906   180.00000
   73    72 S   HA   _H19    67     1.08445   121.17856  -179.97202
   74    69 S   CT   _C6_    79     1.52311   112.02597  -178.74072
   75    74 S   HC   _H11    80     1.09481   112.30452   -59.99152
   76    74 S   HC   _H12    81     1.09357   112.02244    63.92079
   77    72 S   CA   _C15    68     1.45972   120.63382     0.02798
   78    77 S   HA   _H20    69     1.08376   118.06876   179.94766
   79    74 S   NP   _N4_    82     1.48353   109.05688  -178.02315
   80    79 S   H    _H7_    83     1.03442   107.80906    61.52388
   81    77 S   CA   _C16    70     1.34772   120.62698     0.05595
   82    81 S   HA   _H21    71     1.08386   121.17157  -179.97202
   83    79 S   CT   _C4_    84     1.50915   112.62932   178.16464
   84    83 S   HC   _H4_    85     1.09139   107.81211    62.33775
   85    83 S   HC   _H5_    86     1.09216   107.76799  -177.73376
   86    83 S   HC   _H6_    87     1.09111   107.84664   -57.75325
   87    79 S   CT   _C5_    88     1.50946   112.58245   -55.13415
   88    87 S   HC   _H8_    89     1.09139   107.82279   -62.28463
   89    87 S   HC   _H9_    90     1.09199   107.78933    57.73824
   90    87 S   HC   _H10    91     1.09129   107.75188   177.70083
   91    52 S   C56B _C11    72     1.34550   133.00856   128.05552
  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  11   5   4   3
  17   2   1   1  17   9   3   8   4   5   7   3   6   3   8   9
   3   7   4  10   6   3  10   4   4   3  13   2   1  12  11   5
   4   1   7   4   9   5   4   6   3  12   5   4   4   3   9   8
   2   1   7   3   2   1   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    66    38    39    42    45    48    49    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    43    47    60    66    38    39    42    45    46    48    49    52    55    91  
   35    36  
   36  
    0  
   40    41    43    44    47    50    57    60    61    66    38    39    42    45    48    49    52  
   39    42    45    46    48    49    52    40    66  
   42    45    48  
   41    43    44    47    50    60    66    48  
   43    44    47    66  
   45    46    48    49    52  
   44    47    50    51    53    60    66  
   47    50    66  
   46    48    49    52    55    91  
   48    49    52  
   50    51    53    54    57    60    61    66  
   49    52    55    56    59    62    81    91    66  
   52    55    91  
   51    53    54    57    58    60    66  
   53    54    57    66  
   55    56    59    62    67    77    81    82    91    63  
   54    57    58    60    61    66  
   57    58    60  
   56    59    62    67    81    91    63    64    65    69  
   59    62    91    63  
   58    60    61    66  
   60    61    66  
   62    67    68    72    81    91    63    64    65    69    70    71    74  
   61    66  
   66  
   67    68    72    73    77    81    82    91    63    64    65    69  
   64    65    69    70    71    74    75    76    79    67    91  
   65    69    70    71    74  
   69    70    71    74  
    0  
   68    72    73    77    78    81    91  
   72    73    77    91  
   70    71    74    75    76    79    80    83    87  
   71    74    75    76    79  
   74    75    76    79  
   73    77    78    81    82    91  
   77    78    81  
   75    76    79    80    83    84    85    86    87    88    89    90  
   76    79    80    83    87  
   79    80    83    87  
   78    81    82    91  
   81    82    91  
   80    83    84    85    86    87    88    89    90  
   83    84    85    86    87    88    89    90  
   82    91  
   91  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    0  
    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   0.223400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.622500   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.750000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   42   3.4200   0.1700  -0.745000   1.9310   1.7100   0.005000000   0.000000000
   43   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   44   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.622500   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.750000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.004100   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   60   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   79   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   80   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   295.000  1.494
   33    38   317.000  1.522
   33    48   268.000  1.529
   37    40   520.000  1.370
   37    66   380.000  1.440
   40    41   367.000  1.080
   40    43   427.000  1.381
   43    44   434.000  1.010
   43    47   428.000  1.380
   47    50   469.000  1.400
   47    66   447.000  1.419
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    61   367.000  1.080
   60    66   469.000  1.404
   38    39   570.000  1.229
   38    42   495.000  1.346
   42    45   495.000  1.346
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    52   295.000  1.494
   52    55   520.000  1.370
   52    91   380.000  1.440
   55    56   367.000  1.080
   55    59   427.000  1.381
   59    62   428.000  1.380
   59    63   320.000  1.443
   62    67   469.000  1.400
   62    91   447.000  1.419
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    73   367.000  1.080
   72    77   469.000  1.400
   77    78   367.000  1.080
   77    81   469.000  1.400
   81    82   367.000  1.080
   81    91   469.000  1.404
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   367.000  1.471
   79    80   434.000  1.010
   79    83   367.000  1.471
   79    87   367.000  1.471
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    38    70.00000  112.33000
   29    33    48    75.00000  111.63000
   33    37    40    55.00000  127.77900
   33    37    66    55.00000  128.73000
   33    38    39    80.00000  120.40000
   33    38    42    80.00000  112.12000
   33    48    45    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    52    70.00000  112.62400
   37    40    41    35.00000  130.70000
   37    40    43    70.00000  106.30000
   37    66    47    80.00000  107.43600
   37    66    60    50.00000  134.85500
   40    43    44    35.00000  120.00000
   40    43    47    90.00000  107.14200
   43    40    41    35.00000  121.60000
   43    47    50    70.00000  132.80000
   43    47    66    70.00000  104.40000
   47    43    44    35.00000  123.10000
   47    50    51    35.00000  120.00000
   47    50    53    85.00000  120.00000
   47    66    60    85.00000  116.20000
   50    53    54    35.00000  120.00000
   50    53    57    63.00000  120.00000
   53    50    51    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    60    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    66    63.00000  120.00000
   60    57    58    35.00000  120.00000
   66    37    40    80.00000  105.82900
   66    47    50    85.00000  122.70000
   66    60    61    35.00000  120.00000
   38    33    37    70.00000  109.44300
   38    42    45    75.00000  117.16000
   42    38    39    85.00000  128.94100
   42    45    46    85.00000  128.94100
   42    45    48    80.00000  112.12000
   45    48    49    35.00000  109.50000
   45    48    52    70.00000  109.44300
   48    33    37    70.00000  112.62400
   48    33    38    63.00000  111.10000
   48    45    46    80.00000  120.40000
   48    52    55    55.00000  127.77900
   48    52    91    55.00000  128.73000
   52    48    49    45.00000  111.11700
   52    55    56    35.00000  130.70000
   52    55    59    70.00000  106.30000
   52    91    62    80.00000  107.43600
   52    91    81    50.00000  134.85500
   55    59    62    90.00000  107.14200
   55    59    63    65.00000  127.50000
   59    55    56    35.00000  121.60000
   59    62    67    70.00000  132.80000
   59    62    91    70.00000  104.40000
   59    63    64    50.00000  108.61900
   59    63    65    50.00000  108.61900
   59    63    69    75.00000  111.19500
   62    67    68    35.00000  120.00000
   62    67    72    85.00000  120.00000
   62    91    81    85.00000  116.20000
   67    72    73    35.00000  120.00000
   67    72    77    63.00000  120.00000
   72    67    68    35.00000  120.00000
   72    77    78    35.00000  120.00000
   72    77    81    63.00000  120.00000
   77    72    73    35.00000  120.00000
   77    81    82    35.00000  120.00000
   77    81    91    63.00000  120.00000
   81    77    78    35.00000  120.00000
   91    52    55    80.00000  105.82900
   91    62    67    85.00000  122.70000
   91    81    82    35.00000  120.00000
   63    59    62    65.00000  128.16600
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    74    58.35000  112.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    79    80.00000  111.20000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    79    80    35.00000  109.50000
   74    79    83    75.00000  113.01200
   74    79    87    75.00000  113.01200
   76    74    75    33.00000  107.80000
   79    74    75    35.00000  109.50000
   79    74    76    35.00000  109.50000
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    86    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    89    35.00000  109.50000
   79    87    90    35.00000  109.50000
   83    79    80    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    79    80    35.00000  109.50000
   87    79    83    75.00000  113.01200
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    66  -0.16000  1.0 1.0
   29    33    37    66  -0.03200 -1.0 2.0
   29    33    37    66   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.00000  1.0 1.0
   29    33    48    45   0.56750  1.0 1.0
   29    33    48    45  -0.07550 -1.0 2.0
   29    33    48    45   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    52   0.56750  1.0 1.0
   29    33    48    52  -0.07550 -1.0 2.0
   29    33    48    52   0.20000  1.0 3.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    66    47   3.62500 -1.0 2.0
   33    37    66    60   3.62500 -1.0 2.0
   33    38   -42    45   2.45000 -1.0 2.0
   33    48    52    55   0.04150 -1.0 2.0
   33    48    52    91   0.04150 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    42   0.00000  1.0 1.0
   37    33    48    45   0.56750  1.0 1.0
   37    33    48    45  -0.07550 -1.0 2.0
   37    33    48    45   0.20000  1.0 3.0
   37    33    48    49   0.43200  1.0 3.0
   37    33    48    52  -0.94300  1.0 1.0
   37    33    48    52   1.32550 -1.0 2.0
   37    33    48    52  -0.07100  1.0 3.0
   37    40    43    44   1.40000 -1.0 2.0
   37    40   -43    47   3.62500 -1.0 2.0
   40    37   -66    47   3.50000 -1.0 2.0
   40    37    66    60   3.62500 -1.0 2.0
   40    43    47    50   3.62500 -1.0 2.0
   40    43   -47    66   3.62500 -1.0 2.0
   41    40    43    44   2.00000 -1.0 2.0
   41    40    43    47   3.62500 -1.0 2.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    53   3.62500 -1.0 2.0
   43    47   -66    37   3.00000 -1.0 2.0
   43    47    66    60   3.00000 -1.0 2.0
   44    43    47    50   1.52500 -1.0 2.0
   44    43    47    66   1.52500 -1.0 2.0
   47    50    53    54   3.62500 -1.0 2.0
   47    50    53    57   3.62500 -1.0 2.0
   50    47    66    37   3.00000 -1.0 2.0
   50    47    66    60   3.00000 -1.0 2.0
   50    53    57    58   3.62500 -1.0 2.0
   50    53   -57    60   3.62500 -1.0 2.0
   51    50    53    54   3.62500 -1.0 2.0
   51    50    53    57   3.62500 -1.0 2.0
   53    57    60    61   3.62500 -1.0 2.0
   53    57    60    66   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    60   3.62500 -1.0 2.0
   57    60    66    37   3.62500 -1.0 2.0
   57    60   -66    47   3.50000 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   58    57    60    66   3.62500 -1.0 2.0
   61    60    66    37   3.62500 -1.0 2.0
   61    60    66    47   3.50000 -1.0 2.0
   66    37    40    41   3.62500 -1.0 2.0
   66    37   -40    43   3.62500 -1.0 2.0
   66    47    50    51   3.62500 -1.0 2.0
   66    47   -50    53   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    66   0.04300 -1.0 2.0
   38    33   -48    45   0.11950  1.0 1.0
   38    33   -48    45   0.20300 -1.0 2.0
   38    33   -48    45  -0.70800  1.0 3.0
   38    33    48    49  -0.11250  1.0 3.0
   38    33    48    52   0.56750  1.0 1.0
   38    33    48    52  -0.07550 -1.0 2.0
   38    33    48    52   0.20000  1.0 3.0
   38    42    45    46   2.45000 -1.0 2.0
   38    42   -45    48   2.45000 -1.0 2.0
   39    38    42    45   2.45000 -1.0 2.0
   42    45   -48    33   0.00000  1.0 1.0
   42    45    48    49   0.00000  1.0 1.0
   42    45    48    52   0.00000  1.0 1.0
   45    48    52    55   0.04300 -1.0 2.0
   45    48    52    91   0.04300 -1.0 2.0
   46    45    48    33   0.30150 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    52   0.30150 -1.0 2.0
   48    33    37    40   0.04150 -1.0 2.0
   48    33    37    66   0.04150 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    42   0.00000  1.0 1.0
   48    52    55    56   3.62500 -1.0 2.0
   48    52    55    59   3.62500 -1.0 2.0
   48    52    91    62   3.62500 -1.0 2.0
   48    52    91    81   3.62500 -1.0 2.0
   49    48    52    55   0.00000  1.0 1.0
   49    48    52    91   0.00000  1.0 1.0
   52    55   -59    62   3.62500 -1.0 2.0
   52    55    59    63   3.62500 -1.0 2.0
   55    52   -91    62   3.50000 -1.0 2.0
   55    52    91    81   3.62500 -1.0 2.0
   55    59    62    67   3.62500 -1.0 2.0
   55    59   -62    91   3.62500 -1.0 2.0
   55    59    63    64   0.00000  1.0 1.0
   55    59    63    65   0.00000  1.0 1.0
   55    59    63    69   1.10250  1.0 1.0
   55    59    63    69   0.01650 -1.0 2.0
   55    59    63    69   0.39100  1.0 3.0
   56    55    59    62   3.62500 -1.0 2.0
   56    55    59    63   3.62500 -1.0 2.0
   59    62    67    68   3.62500 -1.0 2.0
   59    62    67    72   3.62500 -1.0 2.0
   59    62   -91    52   3.00000 -1.0 2.0
   59    62    91    81   3.00000 -1.0 2.0
   59    63    69    70   0.15000  1.0 3.0
   59    63    69    71   0.15000  1.0 3.0
   59    63    69    74  -0.64600  1.0 1.0
   59    63    69    74   0.58400 -1.0 2.0
   62    59    63    64   0.00000  1.0 1.0
   62    59    63    65   0.00000  1.0 1.0
   62    59    63    69   1.10250  1.0 1.0
   62    59    63    69   0.01650 -1.0 2.0
   62    59    63    69   0.39100  1.0 3.0
   62    67    72    73   3.62500 -1.0 2.0
   62    67    72    77   3.62500 -1.0 2.0
   67    62    91    52   3.00000 -1.0 2.0
   67    62    91    81   3.00000 -1.0 2.0
   67    72    77    78   3.62500 -1.0 2.0
   67    72   -77    81   3.62500 -1.0 2.0
   68    67    72    73   3.62500 -1.0 2.0
   68    67    72    77   3.62500 -1.0 2.0
   72    77    81    82   3.62500 -1.0 2.0
   72    77    81    91   3.62500 -1.0 2.0
   73    72    77    78   3.62500 -1.0 2.0
   73    72    77    81   3.62500 -1.0 2.0
   77    81    91    52   3.62500 -1.0 2.0
   77    81   -91    62   3.50000 -1.0 2.0
   78    77    81    82   3.62500 -1.0 2.0
   78    77    81    91   3.62500 -1.0 2.0
   82    81    91    52   3.62500 -1.0 2.0
   82    81    91    62   3.50000 -1.0 2.0
   91    52    55    56   3.62500 -1.0 2.0
   91    52   -55    59   3.62500 -1.0 2.0
   91    62    67    68   3.62500 -1.0 2.0
   91    62   -67    72   3.62500 -1.0 2.0
   63    59    62    67   3.62500 -1.0 2.0
   63    59    62    91   3.62500 -1.0 2.0
   63    69    74    75   0.15000  1.0 3.0
   63    69    74    76   0.15000  1.0 3.0
   63    69    74    79   1.36600  1.0 1.0
   63    69    74    79  -0.11450 -1.0 2.0
   63    69    74    79   0.24250  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    74   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    74   0.15000  1.0 3.0
   69    74    79    80   0.17350  1.0 3.0
   69    74    79    83   0.47100  1.0 1.0
   69    74    79    87   0.47100  1.0 1.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    76   0.15000  1.0 3.0
   70    69    74    79   0.19200  1.0 3.0
   71    69    74    75   0.15000  1.0 3.0
   71    69    74    76   0.15000  1.0 3.0
   71    69    74    79   0.19200  1.0 3.0
   74    79    83    84   0.15000  1.0 3.0
   74    79    83    85   0.15000  1.0 3.0
   74    79    83    86   0.15000  1.0 3.0
   74    79    87    88   0.15000  1.0 3.0
   74    79    87    89   0.15000  1.0 3.0
   74    79    87    90   0.15000  1.0 3.0
   75    74    79    80   0.13050  1.0 3.0
   75    74    79    83   0.15000  1.0 3.0
   75    74    79    87   0.15000  1.0 3.0
   76    74    79    80   0.13050  1.0 3.0
   76    74    79    83   0.15000  1.0 3.0
   76    74    79    87   0.15000  1.0 3.0
   80    79    83    84   0.13050  1.0 3.0
   80    79    83    85   0.13050  1.0 3.0
   80    79    83    86   0.13050  1.0 3.0
   80    79    87    88   0.13050  1.0 3.0
   80    79    87    89   0.13050  1.0 3.0
   80    79    87    90   0.13050  1.0 3.0
   83    79    87    88   0.15000  1.0 3.0
   83    79    87    89   0.15000  1.0 3.0
   83    79    87    90   0.15000  1.0 3.0
   87    79    83    84   0.15000  1.0 3.0
   87    79    83    85   0.15000  1.0 3.0
   87    79    83    86   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   40    66    37    33   4.00000 -1.0 2.0
   43    41    40    37   1.10000 -1.0 2.0
   44    40    43    47   1.00000 -1.0 2.0
   50    66    47    43   4.00000 -1.0 2.0
   53    51    50    47   1.10000 -1.0 2.0
   57    54    53    50   1.10000 -1.0 2.0
   60    58    57    53   1.10000 -1.0 2.0
   66    61    60    57   1.10000 -1.0 2.0
   47    60    66    37   4.00000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   42    48    45    46  10.50000 -1.0 2.0
   55    91    52    48   4.00000 -1.0 2.0
   59    56    55    52   1.10000 -1.0 2.0
   62    63    59    55   4.00000 -1.0 2.0
   67    91    62    59   4.00000 -1.0 2.0
   72    68    67    62   1.10000 -1.0 2.0
   77    73    72    67   1.10000 -1.0 2.0
   81    78    77    72   1.10000 -1.0 2.0
   91    82    81    77   1.10000 -1.0 2.0
   62    81    91    52   4.00000 -1.0 2.0
END
