* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    158    236     462
    1     0 S   NP   _N1_     1    29.28214    94.19153   -17.71435
    2     1 S   H    _HN1     2     1.02860    94.38829     4.29359
    3     1 S   H    _H1_     3     1.02947    47.79541   113.85354
    4     1 S   H    _H2_     4     1.02798    68.68285  -103.53626
    5     1 S   CT   _CA1     5     1.50454   151.59725   159.33906
    6     5 S   HC   _HA1     6     1.09707   104.65467    28.56409
    7     5 S   CO3  _C1_     7     1.54489   110.75092   -87.44411
    8     7 S   O2Z  _O11     8     1.26061   116.71776  -110.87064
    9     7 S   O2Z  _O12     9     1.26537   113.75911    67.64021
   10     5 S   CT   _CB1    10     1.53154   107.04045   144.42319
   11    10 S   HC   HB11    11     1.09817   109.94050   -43.93501
   12    10 S   HC   HB12    12     1.09773   110.38767    72.87302
   13    10 S   CT   _CG1    13     1.52948   112.02802  -164.58956
   14    13 S   HC   HG11    14     1.09249   110.29093   -53.90984
   15    13 S   HC   HG12    15     1.09610   110.02052    64.47561
   16    13 S   C    _CD1    16     1.51798   112.08714  -176.11325
   17    16 S   O    _OE1    17     1.22803   122.67068   -26.20513
   18    16 S   N    _N2_    18     1.38586   112.24976   155.66549
   19    18 S   H    _HN2    19     1.01464   119.52396    -1.40347
   20    18 S   CT1  _CA2    20     1.46078   123.50439   176.81611
   21    20 S   HC   _HA2    21     1.09663   109.16987    -2.56865
   22    20 S   C    _C2_    22     1.53745   109.39165  -118.96111
   23    22 S   O    _O2_    23     1.23116   121.68809  -164.51543
   24    20 S   CT   _CB2    32     1.53626   112.04775   119.56610
   25    24 S   HC   HB21    33     1.09213   109.71720    68.76868
   26    24 S   HC   HB22    34     1.09580   109.86034  -174.67329
   27    22 S   N    _N3_    24     1.38189   114.45167    20.20242
   28    27 S   H    _HN3    25     1.01594   119.38053     0.20174
   29    24 S   S    _SG2    35     1.83007   112.65996   -55.28453
   30    27 S   CT   _CA3    26     1.45251   123.42852  -179.35199
   31    30 S   HC   HA31    27     1.09521   107.60974   -68.11600
   32    30 S   HC   HA32    28     1.09572   107.94743    48.38859
   33    29 S   CT   _C23    36     1.85308   100.82055   131.29133
   34    33 S   HC   _H3_    37     1.09540   104.21875    58.23347
   35    30 S   CO3  _C3_    29     1.52979   113.82645   170.75125
   36    35 S   O2Z  _O31    30     1.26381   115.96635    16.07732
   37    35 S   O2Z  _O32    31     1.26420   114.52952  -164.10297
   38    33 S   CM   _C11    38     1.53935   111.67747   -62.73887
   39    33 S   CT   _C22    83     1.53562   109.47294   172.47496
   40    39 S   HC   _H49    84     1.09569   112.41178    50.62695
   41    39 S   HC   _H50    85     1.09586   110.28900   171.63482
   42    38 S   CMA  _C12    39     1.37018   121.80575   116.81930
   43    42 S   OM   _O21    40     1.26968   124.71286     2.85026
   44    38 S   CT   _C21    78     1.51788   115.87182   -63.29757
   45    44 S   HC   _H47    79     1.09251   111.39116    38.24635
   46    44 S   HC   _H48    80     1.09150   112.72515   157.73529
   47    39 S   OH   _O25    86     1.42599   110.21528   -70.43759
   48    47 S   HO   _H53    87     0.97222   106.88964  -179.13317
   49    42 S   OS   _O26    41     1.42206   111.79234  -178.09978
   50    44 S   OH   _O24    81     1.42172   110.25141   -81.51671
   51    50 S   HO   _H52    82     0.97494   106.07301   179.81869
   52    49 S   CT   _C18    42     1.44339   117.80818   156.42638
   53    52 S   HC   _H40    43     1.09406   108.75722    35.68599
   54    52 S   CT   _C14    44     1.56684   110.04156   -79.10389
   55    54 S   HC   _H34    45     1.09876   106.68214   149.53458
   56    54 S   HC   _H35    46     1.09756   110.21318    35.78516
   57    52 S   CT   _C17    61     1.56245   109.93839   152.39539
   58    57 S   HC   _H39    62     1.09601   109.24178   137.84078
   59    54 S   CM   _C6_    47     1.52034   118.29044   -89.01622
   60    57 S   CM   _C8_    63     1.50279   118.38160  -103.99437
   61    59 S   CM   _C4_    48     1.34729   120.54833    67.84406
   62    61 S   HC   _H28    49     1.08666   117.55039     4.18254
   63    60 S   CO4  _C9_    64     1.48572   107.95945   154.51493
   64    63 S   O    _O22    65     1.21765   127.06768   166.22950
   65    60 S   CM   _C10    67     1.33604   131.39589   -25.63953
   66    65 S   HC   _H30    68     1.08388   121.81193    -0.62994
   67    65 S   HC   _H31    69     1.08558   121.49686   179.89721
   68    59 S   CT   _C19    74     1.50560   114.71832  -110.23866
   69    68 S   HC   _H41    75     1.09570   109.71894   -56.95124
   70    68 S   HC   _H42    76     1.09133   113.74272  -176.11940
   71    68 S   HC   _H43    77     1.09398   110.72580    62.35908
   72    61 S   CT   _C13    50     1.51201   127.57772  -165.16023
   73    72 S   HC   _H32    51     1.09576   109.14795  -132.52023
   74    72 S   HC   _H33    52     1.09303   112.11255   -15.33917
   75    86 S   OS   _O23    66     1.43157   112.51820   -55.97464
   76    72 S   CT   _C15    53     1.55135   111.33501   106.71229
   77    76 S   HC   _H36    54     1.09640   110.08210  -166.11580
   78    76 S   HC   _H37    55     1.09786   108.74152    78.45859
   79    76 S   CM   _C7_    56     1.52252   111.51516   -43.21549
   80    79 S   CM   _C5_    57     1.34891   117.51352    89.34717
   81    80 S   HC   _H29    58     1.09041   117.03979     8.77257
   82    79 S   CT   _C20    70     1.50023   115.64312   -81.95905
   83    82 S   HC   _H44    71     1.09501   109.69922   -66.63722
   84    82 S   HC   _H45    72     1.09137   113.35517   173.44887
   85    82 S   HC   _H46    73     1.09403   110.80192    52.66299
   86    80 S   CT   _C16    59     1.49892   129.43720  -157.22670
   87    86 S   HC   _H38    60     1.09977   107.35213  -171.89383
  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
  14   7   2   1   1  13   6   3   2  10   3   5   3   2   1   1
  10   1   1  16   8  14   5   4  14   7  10   9  12   5   8   3
   4   1   1   4   2   1   1   8   5   4   5  10   4   3   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    42    44    39    40    41    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    49    44    45    46    50    39    40    41    47    48  
   38    42    44    39    40    41    47  
   36    37  
   37  
    0  
   42    43    49    52    44    45    46    50    51    39    40    41    47  
   40    41    47    48    42    44  
   41    47    48  
   47    48  
   43    49    52    53    54    57    44    45    46    50  
   49    52    44  
   45    46    50    51    49  
   46    50    51  
   50    51  
   48  
    0  
   52    53    54    55    56    59    86    57    58    60  
   51  
    0  
   53    54    55    56    59    61    80    86    87    57    58    60    63    75    65    68  
   54    55    56    59    86    57    58    60  
   55    56    59    61    62    72    86    57    58    60    68    69    70    71  
   56    59    61    57    68  
   59    61    57    68  
   58    60    63    64    75    65    66    67    59    79    80    81    86    87  
   60    63    75    65    80    86    87  
   61    62    72    73    74    76    68    69    70    71  
   63    64    75    65    66    67    80    86    87  
   62    72    73    74    76    77    78    79    68    69    70    71  
   72    73    74    76    68  
   64    75    65    66    67    80    86    87  
   75    65    86  
   66    67    75    86  
   67  
    0  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    76    77    78    79    80    82  
   74    76    77    78    79  
   76    77    78    79  
   79    80    81    86    87  
   77    78    79    80    81    86    82    83    84    85  
   78    79    80    82  
   79    80    82  
   80    81    86    87    82    83    84    85  
   81    86    87    82    83    84    85  
   86    87    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.145000   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   87   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    42   465.000  1.376
   38    44   317.000  1.510
   42    43   745.000  1.250
   42    49   440.000  1.360
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   317.000  1.510
   59    61   549.000  1.340
   59    68   317.000  1.510
   61    62   340.000  1.080
   61    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.510
   79    80   549.000  1.340
   79    82   317.000  1.510
   80    81   340.000  1.080
   80    86   317.000  1.510
   86    87   340.000  1.090
   86    57   268.000  1.529
   86    75   320.000  1.410
   57    58   340.000  1.090
   57    60   317.000  1.510
   60    63   320.000  1.462
   60    65   549.000  1.340
   63    64   570.000  1.229
   63    75   214.000  1.327
   65    66   340.000  1.080
   65    67   340.000  1.080
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   320.000  1.410
   50    51   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    47   320.000  1.410
   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    47    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    49    80.00000  120.01400
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    50    90.00000  110.39200
   42    49    52    90.00000  111.18400
   49    42    43    65.00000  121.00000
   49    52    53    35.00000  109.50000
   49    52    54    50.00000  109.50000
   49    52    57    50.00000  109.50000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    59    70.00000  112.02700
   52    57    86    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    60    70.00000  112.02700
   54    52    53    37.50000  110.70000
   54    59    61    70.00000  124.00000
   54    59    68    65.00000  117.92700
   56    54    55    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    61    62    35.00000  120.00000
   59    61    72    70.00000  124.00000
   59    68    69    35.00000  109.50000
   59    68    70    35.00000  109.50000
   59    68    71    35.00000  109.50000
   61    72    73    35.00000  109.50000
   61    72    74    35.00000  109.50000
   61    72    76    70.00000  112.02700
   72    61    62    35.00000  117.00000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    70.00000  112.02700
   74    72    73    33.00000  107.80000
   76    72    73    37.50000  110.70000
   76    72    74    37.50000  110.70000
   76    79    80    70.00000  124.00000
   76    79    82    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    80    81    35.00000  120.00000
   79    80    86    70.00000  124.00000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   80    86    87    35.00000  109.50000
   80    86    57    70.00000  112.02700
   80    86    75    85.00000  110.90400
   86    80    81    35.00000  117.00000
   86    57    58    37.50000  110.70000
   86    57    60    70.00000  112.02700
   86    75    63    83.00000  116.90000
   57    52    53    37.50000  110.70000
   57    52    54    58.35000  112.70000
   57    86    87    37.50000  110.70000
   57    60    63    65.00000  116.34900
   57    60    65    70.00000  124.00000
   60    57    58    35.00000  109.50000
   60    63    64    80.00000  123.72100
   60    63    75    90.00000  111.29400
   60    65    66    35.00000  120.00000
   60    65    67    35.00000  120.00000
   75    86    87    35.00000  109.50000
   75    86    57    50.00000  109.50000
   75    63    64    83.00000  123.40000
   65    60    63    65.00000  118.96000
   67    65    66    35.00000  117.00000
   82    79    80    70.00000  124.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   68    59    61    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   44    38    42    70.00000  124.00000
   44    50    51    55.00000  108.50000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    47    48    55.00000  108.50000
   41    39    40    33.00000  107.80000
   47    39    40    35.00000  109.50000
   47    39    41    35.00000  109.50000
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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   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    47   0.56750  1.0 1.0
   29    33    39    47  -0.07550 -1.0 2.0
   29    33    39    47   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    49   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    50   0.18000  1.0 1.0
   33    38    44    50   0.16450 -1.0 2.0
   33    38    44    50   0.04450  1.0 3.0
   33    39    47    48  -0.11600  1.0 1.0
   33    39    47    48  -0.09450 -1.0 2.0
   33    39    47    48   0.21250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   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    47   0.23400  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    47   1.05650  1.0 1.0
   38    33    39    47   0.15600 -1.0 2.0
   38    33    39    47   0.53150  1.0 3.0
   38    42    49    52  -2.26850  1.0 1.0
   38    42    49    52   3.39050 -1.0 2.0
   38    44    50    51  -0.07800  1.0 1.0
   38    44    50    51  -0.21500 -1.0 2.0
   38    44    50    51  -0.03150  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    50   0.67800  1.0 1.0
   42    38    44    50   0.47050 -1.0 2.0
   42    38    44    50  -0.62500  1.0 3.0
   42    49    52    53   0.08050  1.0 3.0
   42    49    52    54  -0.46850  1.0 1.0
   42    49    52    54   0.09300 -1.0 2.0
   42    49    52    54  -0.12850  1.0 3.0
   42    49    52    57  -0.46850  1.0 1.0
   42    49    52    57   0.09300 -1.0 2.0
   42    49    52    57  -0.12850  1.0 3.0
   43    42    49    52   2.00000 -1.0 2.0
   49    52    54    55   0.23400  1.0 3.0
   49    52    54    56   0.23400  1.0 3.0
   49    52    54    59   0.61850  1.0 1.0
   49    52    54    59  -0.22750 -1.0 2.0
   49    52    54    59   0.15300  1.0 3.0
   49    52    57    86   0.62750  1.0 1.0
   49    52    57    86  -0.30950 -1.0 2.0
   49    52    57    86   0.27300  1.0 3.0
   49    52    57    58   0.23400  1.0 3.0
   49    52    57    60   0.61850  1.0 1.0
   49    52    57    60  -0.22750 -1.0 2.0
   49    52    57    60   0.15300  1.0 3.0
   52    54    59    61   0.09850  1.0 1.0
   52    54    59    61   0.15250 -1.0 2.0
   52    54    59    61  -0.50650  1.0 3.0
   52    54    59    68   0.46850  1.0 1.0
   52    54    59    68   0.08550 -1.0 2.0
   52    54    59    68   0.09800  1.0 3.0
   52    57    60    63   0.09700  1.0 1.0
   52    57    60    63   0.15600 -1.0 2.0
   52    57    60    63  -0.50800  1.0 3.0
   52    57    60    65   0.09850  1.0 1.0
   52    57    60    65   0.15250 -1.0 2.0
   52    57    60    65  -0.50650  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52    57    86   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    60   0.15000  1.0 3.0
   54    52    57    86   0.56750  1.0 1.0
   54    52    57    86  -0.07550 -1.0 2.0
   54    52    57    86   0.20000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    60   0.34400  1.0 1.0
   54    52    57    60   0.09450 -1.0 2.0
   54    52    57    60   0.11100  1.0 3.0
   54    59    61    62   7.00000 -1.0 2.0
   54    59    61    72   7.00000 -1.0 2.0
   54    59    68    69   0.34800  1.0 3.0
   54    59    68    70   0.34800  1.0 3.0
   54    59    68    71   0.34800  1.0 3.0
   55    54    59    61   0.00000  1.0 1.0
   55    54    59    68   0.34800  1.0 3.0
   56    54    59    61   0.00000  1.0 1.0
   56    54    59    68   0.34800  1.0 3.0
   59    61    72    73   0.00000  1.0 1.0
   59    61    72    74   0.00000  1.0 1.0
   59    61    72    76   0.09850  1.0 1.0
   59    61    72    76   0.15250 -1.0 2.0
   59    61    72    76  -0.50650  1.0 3.0
   61    59    68    69   0.00000  1.0 1.0
   61    59    68    70   0.00000  1.0 1.0
   61    59    68    71   0.00000  1.0 1.0
   61    72    76    77   0.15000  1.0 3.0
   61    72    76    78   0.15000  1.0 3.0
   61    72    76    79   0.31000  1.0 1.0
   61    72    76    79   0.14700 -1.0 2.0
   61    72    76    79   0.07550  1.0 3.0
   62    61    72    73   0.33100  1.0 3.0
   62    61    72    74   0.33100  1.0 3.0
   62    61    72    76   0.00000  1.0 1.0
   72    76    79    80   0.09850  1.0 1.0
   72    76    79    80   0.15250 -1.0 2.0
   72    76    79    80  -0.50650  1.0 3.0
   72    76    79    82   0.46850  1.0 1.0
   72    76    79    82   0.08550 -1.0 2.0
   72    76    79    82   0.09800  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   74    72    76    77   0.15000  1.0 3.0
   74    72    76    78   0.15000  1.0 3.0
   74    72    76    79   0.15000  1.0 3.0
   76    79    80    81   7.00000 -1.0 2.0
   76    79    80    86   7.00000 -1.0 2.0
   76    79    82    83   0.34800  1.0 3.0
   76    79    82    84   0.34800  1.0 3.0
   76    79    82    85   0.34800  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    82   0.34800  1.0 3.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    82   0.34800  1.0 3.0
   79    80    86    87   0.00000  1.0 1.0
   79    80    86    57   0.09850  1.0 1.0
   79    80    86    57   0.15250 -1.0 2.0
   79    80    86    57  -0.50650  1.0 3.0
   79    80    86    75   0.39000  1.0 1.0
   79    80    86    75  -0.05800 -1.0 2.0
   79    80    86    75  -0.55150  1.0 3.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   80    79    82    85   0.00000  1.0 1.0
   80    86    57    52   0.34400  1.0 1.0
   80    86    57    52   0.09450 -1.0 2.0
   80    86    57    52   0.11100  1.0 3.0
   80    86    57    58   0.15000  1.0 3.0
   80    86    57    60   0.31000  1.0 1.0
   80    86    57    60   0.14700 -1.0 2.0
   80    86    57    60   0.07550  1.0 3.0
   80    86    75    63  -0.82050  1.0 1.0
   80    86    75    63   0.00600 -1.0 2.0
   80    86    75    63   0.04400  1.0 3.0
   81    80    86    87   0.33100  1.0 3.0
   81    80    86    57   0.00000  1.0 1.0
   81    80    86    75   0.00000  1.0 1.0
   86    57   -60    63   0.09700  1.0 1.0
   86    57   -60    63   0.15600 -1.0 2.0
   86    57   -60    63  -0.50800  1.0 3.0
   86    57    60    65   0.09850  1.0 1.0
   86    57    60    65   0.15250 -1.0 2.0
   86    57    60    65  -0.50650  1.0 3.0
   87    86    57    52   0.15000  1.0 3.0
   87    86    57    58   0.15000  1.0 3.0
   87    86    57    60   0.15000  1.0 3.0
   87    86    75    63   0.08050  1.0 3.0
   57    52    54    55   0.15000  1.0 3.0
   57    52    54    56   0.15000  1.0 3.0
   57    52    54    59   0.34400  1.0 1.0
   57    52    54    59   0.09450 -1.0 2.0
   57    52    54    59   0.11100  1.0 3.0
   57    86   -75    63  -0.25900  1.0 1.0
   57    86   -75    63  -0.47000 -1.0 2.0
   57    86   -75    63   0.11750  1.0 3.0
   57    60    63    64  -0.64400  1.0 1.0
   57    60    63    64   0.26850 -1.0 2.0
   57    60   -63    75  -0.15000  1.0 1.0
   57    60   -63    75   0.89550 -1.0 2.0
   57    60   -63    75  -0.06900  1.0 3.0
   57    60    65    66   7.00000 -1.0 2.0
   57    60    65    67   7.00000 -1.0 2.0
   58    57    60    63   0.15000  1.0 3.0
   58    57    60    65   0.00000  1.0 1.0
   60    63   -75    86   2.00000 -1.0 2.0
   63    60    65    66   7.00000 -1.0 2.0
   63    60    65    67   7.00000 -1.0 2.0
   64    63    75    86   3.00000 -1.0 2.0
   75    86    57    52   0.62750  1.0 1.0
   75    86    57    52  -0.30950 -1.0 2.0
   75    86    57    52   0.27300  1.0 3.0
   75    86    57    58   0.23400  1.0 3.0
   75    86   -57    60   0.61850  1.0 1.0
   75    86   -57    60  -0.22750 -1.0 2.0
   75    86   -57    60   0.15300  1.0 3.0
   65    60    63    64   1.00000 -1.0 2.0
   65    60    63    75  -0.56150  1.0 1.0
   65    60    63    75   2.19150 -1.0 2.0
   82    79    80    81   7.00000 -1.0 2.0
   82    79    80    86   7.00000 -1.0 2.0
   68    59    61    62   7.00000 -1.0 2.0
   68    59    61    72   7.00000 -1.0 2.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    49   7.00000 -1.0 2.0
   45    44    50    51   0.19450  1.0 3.0
   46    44    50    51   0.19450  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   40    39    47    48   0.19450  1.0 3.0
   41    39    47    48   0.19450  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    44    38    42  15.00000 -1.0 2.0
   43    49    42    38  15.00000 -1.0 2.0
   54    68    59    61   1.10000 -1.0 2.0
   72    62    61    59   1.10000 -1.0 2.0
   76    82    79    80   1.10000 -1.0 2.0
   86    81    80    79   1.10000 -1.0 2.0
   57    63    60    65   1.10000 -1.0 2.0
   60    75    63    64  10.50000 -1.0 2.0
   66    67    65    60   1.10000 -1.0 2.0
END
