* LIGAND DATABASE FILE (OPLS2005)
*
001      88    88    162    231     467
    1     0 S   NP   _N1_     1    28.14573    96.91368   -23.46531
    2     1 S   H    _HN1     2     1.02776   105.22814  -107.53938
    3     1 S   H    _H1_     3     1.02957    74.74445    -2.24394
    4     1 S   H    _H2_     4     1.02835    35.44828   152.86406
    5     1 S   CT   _CA1     5     1.50139   137.35003   101.45167
    6     5 S   HC   _HA1     6     1.09574   105.21080    88.19073
    7     5 S   CO3  _C1_     7     1.53785   112.34988   -32.00661
    8     7 S   O2Z  _O11     8     1.26369   114.99058   -43.74859
    9     7 S   O2Z  _O12     9     1.26231   114.93412   135.30758
   10     5 S   CT   _CB1    10     1.53090   107.41771  -153.88264
   11    10 S   HC   HB11    11     1.09829   109.34403   -50.21366
   12    10 S   HC   HB12    12     1.09816   110.42085    66.34320
   13    10 S   CT   _CG1    13     1.53025   112.68279  -171.26513
   14    13 S   HC   HG11    14     1.09592   110.51943   -64.48198
   15    13 S   HC   HG12    15     1.09657   109.90344    54.73303
   16    13 S   C    _CD1    16     1.51842   112.27322   175.11978
   17    16 S   O    _OE1    17     1.22756   123.27802     1.58461
   18    16 S   N    _N2_    18     1.38547   111.74745  -178.51879
   19    18 S   H    _HN2    19     1.01574   119.06600     4.39454
   20    18 S   CT1  _CA2    20     1.45853   122.85686   177.90351
   21    20 S   HC   _HA2    21     1.09718   108.95570    24.18127
   22    20 S   C    _C2_    22     1.52893   106.83566   -93.05081
   23    22 S   O    _O2_    23     1.22993   122.95723   -29.36694
   24    20 S   CT   _CB2    32     1.53230   112.20453   147.38743
   25    24 S   HC   HB21    33     1.09452   109.57980    55.06781
   26    24 S   HC   HB22    34     1.09439   109.73293   173.81731
   27    22 S   N    _N3_    24     1.38472   112.64922   153.31934
   28    27 S   H    _HN3    25     1.01653   120.40105    -1.24270
   29    24 S   S    _SG2    35     1.83045   110.79612   -65.95257
   30    27 S   CT   _CA3    26     1.45354   122.41569   178.57495
   31    30 S   HC   HA31    27     1.09566   107.53439   -62.34012
   32    30 S   HC   HA32    28     1.09570   107.86839    53.97473
   33    29 S   CT   _C14    36     1.87314   101.41660   175.39781
   34    30 S   CO3  _C3_    29     1.52882   114.39706   176.00257
   35    34 S   O2Z  _O31    30     1.26327   116.09169     0.86434
   36    34 S   O2Z  _O32    31     1.26453   114.39365  -179.08208
   37    33 S   CM   _C15    37     1.52635   109.78000    59.56776
   38    33 S   CT   _C13    58     1.55716   106.66225  -178.05993
   39    38 S   HC   _H22    59     1.09940   110.01302    58.61734
   40    38 S   HC   _H23    60     1.09826   110.48376   -57.70213
   41    37 S   CMA  _C16    38     1.35996   123.33578  -115.55613
   42    41 S   OM   _O36    39     1.26398   129.37860  -177.55928
   43    37 S   CT   _C22    54     1.52314   116.20767    66.03777
   44    43 S   HC   _H30    55     1.09374   111.25868   -54.38395
   45    43 S   HC   _H31    56     1.09463   113.18952  -173.80780
   46    43 S   HC   _H32    57     1.09407   110.69745    66.36833
   47    38 S   CT   _C12    61     1.53896   113.98798   179.71814
   48    47 S   HC   _H20    62     1.09551   110.36600    59.30936
   49    47 S   HC   _H21    63     1.09611   110.00734   -58.72274
   50    41 S   CM   _C17    40     1.48177   118.73755     1.80602
   51    47 S   CT   _C11    64     1.53089   111.08500  -179.63470
   52    51 S   HC   _H18    65     1.09677   109.58316    58.54788
   53    51 S   HC   _H19    66     1.09678   109.55807   -58.79726
   54    50 S   CM   _C18    41     1.34398   123.81674    -8.04388
   55    50 S   OS   _O35    49     1.39937   117.26445   176.83047
   56    51 S   CT   _C10    67     1.52960   111.29322   179.87646
   57    56 S   HC   _H16    68     1.09681   109.56740    58.65480
   58    56 S   HC   _H17    69     1.09682   109.56442   -58.62803
   59    33 S   CO4  _C19    42     1.53600   105.76272   -64.27386
   60    59 S   O    _O33    43     1.23372   121.92345   -60.94023
   61    54 S   OS   _O34    44     1.38443   121.90817  -177.42709
   62    55 S   CT   _C21    50     1.42911   110.73558   -98.08241
   63    62 S   HC   _H27    51     1.09392   107.81614   175.90112
   64    62 S   HC   _H28    52     1.09540   111.50535    57.32424
   65    62 S   HC   _H29    53     1.09488   111.12222   -65.86359
   66    56 S   CT   _C9_    70     1.52950   111.32694  -179.98022
   67    66 S   HC   _H14    71     1.09681   109.56707   -58.64900
   68    66 S   HC   _H15    72     1.09681   109.56727    58.63988
   69    61 S   CT   _C20    45     1.42624   110.25119   100.01934
   70    69 S   HC   _H24    46     1.09393   107.91069  -179.12196
   71    69 S   HC   _H25    47     1.09505   111.41187    62.35656
   72    69 S   HC   _H26    48     1.09557   110.96646   -60.83635
   73    66 S   CT   _C8_    73     1.52957   111.32515   179.97202
   74    73 S   HC   _H12    74     1.09681   109.56641   -58.63999
   75    73 S   HC   _H13    75     1.09681   109.56632    58.64623
   76    73 S   CT   _C7_    76     1.52959   111.33020  -179.98022
   77    76 S   HC   _H10    77     1.09682   109.56647    58.64237
   78    76 S   HC   _H11    78     1.09682   109.56645   -58.64397
   79    76 S   CT   _C6_    79     1.52957   111.33240   179.98022
   80    79 S   HC   _H8_    80     1.09685   109.57578   -58.63517
   81    79 S   HC   _H9_    81     1.09685   109.57573    58.63458
   82    79 S   CT   _C5_    82     1.52847   111.32911   180.00000
   83    82 S   HC   _H6_    83     1.09622   109.86597    58.86564
   84    82 S   HC   _H7_    84     1.09622   109.86591   -58.86291
   85    82 S   CT   _C4_    85     1.52037   111.49450  -180.00000
   86    85 S   HC   _H3_    86     1.09469   111.00118    60.26133
   87    85 S   HC   _H4_    87     1.09449   110.26120  -179.98022
   88    85 S   HC   _H5_    88     1.09469   111.00132   -60.25870
  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
  19   2   1   1  15  14   6   5  11   4   5   2   1   1  10   5
   4  10   9   5   4   9   6   9   5   4   3   1   4   3   2   1
   1   9   5   4   3   2   1   1   9   5   4   9   5   4   9   5
   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    59    60    43    38    39    40    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    50    54    59    60    61    43    44    45    46    38    39    40    47    48    49    51  
   35    36  
   36  
    0  
   41    42    50    54    59    60    55    43    44    45    46    38    39    40    47  
   39    40    47    48    49    51    52    53    56    41    43    54    59    60  
   40    47    48    49    51    59  
   47    48    49    51    59  
   42    50    54    59    61    55    62    43    44    45    46  
   50    54    55    43  
   44    45    46    50    59  
   45    46  
   46  
    0  
   48    49    51    52    53    56    57    58    66    59  
   49    51    52    53    56  
   51    52    53    56  
   54    59    60    61    69    55    62    63    64    65  
   52    53    56    57    58    66    67    68    73  
   53    56    57    58    66  
   56    57    58    66  
   59    60    61    69    70    71    72    55    62  
   62    63    64    65    59    61  
   57    58    66    67    68    73    74    75    76  
   58    66    67    68    73  
   66    67    68    73  
   60    61    69  
   61  
   69    70    71    72  
   63    64    65  
   64    65  
   65  
    0  
   67    68    73    74    75    76    77    78    79  
   68    73    74    75    76  
   73    74    75    76  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   0.167500   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   33    59   317.000  1.522
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    50   465.000  1.376
   50    54   549.000  1.340
   50    55   440.000  1.360
   54    59   320.000  1.462
   54    61   440.000  1.360
   59    60   570.000  1.229
   61    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   55    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   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    75.00000  112.20000
   29    33    59    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    59    54    65.00000  118.62400
   33    59    60    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    47    58.35000  112.70000
   37    41    42    65.00000  137.10300
   37    41    50    70.00000  123.01800
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    35.00000  109.50000
   41    50    54    70.00000  117.34000
   41    50    55    80.00000  120.01400
   50    41    42    65.00000  137.10300
   50    54    59    65.00000  118.96000
   50    54    61    80.00000  120.01400
   50    55    62    90.00000  111.18400
   54    59    60    80.00000  123.72100
   54    61    69    90.00000  111.18400
   59    33    37    70.00000  109.06800
   61    54    59    85.00000  116.28000
   61    69    70    35.00000  109.50000
   61    69    71    35.00000  109.50000
   61    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   55    50    54    80.00000  120.01400
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   43    37    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    59    63.00000  111.10000
   38    47    48    37.50000  110.70000
   38    47    49    37.50000  110.70000
   38    47    51    58.35000  112.70000
   40    38    39    33.00000  107.80000
   47    38    39    37.50000  110.70000
   47    38    40    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    56    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    66    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    73    58.35000  112.70000
   58    56    57    33.00000  107.80000
   66    56    57    37.50000  110.70000
   66    56    58    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    58.35000  112.70000
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    59    54   0.65300  1.0 1.0
   29    33    59    54  -0.03850 -1.0 2.0
   29    33    59    54   0.33900  1.0 3.0
   29    33    59    60   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    47   0.44750  1.0 1.0
   29    33    38    47  -0.17800 -1.0 2.0
   29    33    38    47   0.20200  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    50   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    45   0.34800  1.0 3.0
   33    37    43    46   0.34800  1.0 3.0
   33    38    47    48   0.15000  1.0 3.0
   33    38    47    49   0.15000  1.0 3.0
   33    38    47    51   0.56750  1.0 1.0
   33    38    47    51  -0.07550 -1.0 2.0
   33    38    47    51   0.20000  1.0 3.0
   37    33    59    54   0.65300  1.0 1.0
   37    33    59    54  -0.03850 -1.0 2.0
   37    33    59    54   0.33900  1.0 3.0
   37    33    59    60   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    47   0.34400  1.0 1.0
   37    33    38    47   0.09450 -1.0 2.0
   37    33    38    47   0.11100  1.0 3.0
   37    41   -50    54   7.00000 -1.0 2.0
   37    41    50    55   7.00000 -1.0 2.0
   41    37    43    44   0.00000  1.0 1.0
   41    37    43    45   0.00000  1.0 1.0
   41    37    43    46   0.00000  1.0 1.0
   41    50    54    59   7.00000 -1.0 2.0
   41    50    54    61   7.00000 -1.0 2.0
   41    50    55    62  -2.26850  1.0 1.0
   41    50    55    62   3.39050 -1.0 2.0
   42    41    50    54   7.00000 -1.0 2.0
   42    41    50    55   7.00000 -1.0 2.0
   50    54   -59    33  -0.33500  1.0 1.0
   50    54   -59    33   1.06600 -1.0 2.0
   50    54   -59    33  -0.14000  1.0 3.0
   50    54    59    60   1.00000 -1.0 2.0
   50    54    61    69  -2.26850  1.0 1.0
   50    54    61    69   3.39050 -1.0 2.0
   50    55    62    63   0.08050  1.0 3.0
   50    55    62    64   0.08050  1.0 3.0
   50    55    62    65   0.08050  1.0 3.0
   54    50    55    62  -2.26850  1.0 1.0
   54    50    55    62   3.39050 -1.0 2.0
   54    61    69    70   0.08050  1.0 3.0
   54    61    69    71   0.08050  1.0 3.0
   54    61    69    72   0.08050  1.0 3.0
   59    33   -37    41  -0.51250  1.0 1.0
   59    33   -37    41  -0.88800 -1.0 2.0
   59    33   -37    41   0.08850  1.0 3.0
   59    33    37    43   0.17250  1.0 1.0
   59    33    37    43  -0.04100 -1.0 2.0
   59    33    37    43  -0.33850  1.0 3.0
   59    33    38    39  -0.11250  1.0 3.0
   59    33    38    40  -0.11250  1.0 3.0
   59    33    38    47  -0.95700  1.0 1.0
   59    33    38    47  -0.18200 -1.0 2.0
   59    33    38    47   0.29450  1.0 3.0
   59    54    61    69   0.15100 -1.0 2.0
   61    54    59    33   0.32450 -1.0 2.0
   61    54    59    33   0.17400  1.0 3.0
   61    54    59    60  -0.11900  1.0 1.0
   61    54    59    60   0.76850 -1.0 2.0
   61    54    59    60   0.14100  1.0 3.0
   55    50    54    59   7.00000 -1.0 2.0
   55    50    54    61   7.00000 -1.0 2.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    50   7.00000 -1.0 2.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    59    54   0.65300  1.0 1.0
   38    33    59    54  -0.03850 -1.0 2.0
   38    33    59    54   0.33900  1.0 3.0
   38    33    59    60   0.30150 -1.0 2.0
   38    47    51    52   0.15000  1.0 3.0
   38    47    51    53   0.15000  1.0 3.0
   38    47    51    56   0.56750  1.0 1.0
   38    47    51    56  -0.07550 -1.0 2.0
   38    47    51    56   0.20000  1.0 3.0
   39    38    47    48   0.15000  1.0 3.0
   39    38    47    49   0.15000  1.0 3.0
   39    38    47    51   0.15000  1.0 3.0
   40    38    47    48   0.15000  1.0 3.0
   40    38    47    49   0.15000  1.0 3.0
   40    38    47    51   0.15000  1.0 3.0
   47    51    56    57   0.15000  1.0 3.0
   47    51    56    58   0.15000  1.0 3.0
   47    51    56    66   0.56750  1.0 1.0
   47    51    56    66  -0.07550 -1.0 2.0
   47    51    56    66   0.20000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    56   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    53   0.15000  1.0 3.0
   49    47    51    56   0.15000  1.0 3.0
   51    56    66    67   0.15000  1.0 3.0
   51    56    66    68   0.15000  1.0 3.0
   51    56    66    73   0.56750  1.0 1.0
   51    56    66    73  -0.07550 -1.0 2.0
   51    56    66    73   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    66   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    66   0.15000  1.0 3.0
   56    66    73    74   0.15000  1.0 3.0
   56    66    73    75   0.15000  1.0 3.0
   56    66    73    76   0.56750  1.0 1.0
   56    66    73    76  -0.07550 -1.0 2.0
   56    66    73    76   0.20000  1.0 3.0
   57    56    66    67   0.15000  1.0 3.0
   57    56    66    68   0.15000  1.0 3.0
   57    56    66    73   0.15000  1.0 3.0
   58    56    66    67   0.15000  1.0 3.0
   58    56    66    68   0.15000  1.0 3.0
   58    56    66    73   0.15000  1.0 3.0
   66    73    76    77   0.15000  1.0 3.0
   66    73    76    78   0.15000  1.0 3.0
   66    73    76    79   0.56750  1.0 1.0
   66    73    76    79  -0.07550 -1.0 2.0
   66    73    76    79   0.20000  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    76   0.15000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   0.56750  1.0 1.0
   73    76    79    82  -0.07550 -1.0 2.0
   73    76    79    82   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85   0.56750  1.0 1.0
   76    79    82    85  -0.07550 -1.0 2.0
   76    79    82    85   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   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
   33    43    37    41   1.10000 -1.0 2.0
   50    42    41    37   1.10000 -1.0 2.0
   41    55    50    54   1.10000 -1.0 2.0
   59    61    54    50   1.10000 -1.0 2.0
   33    54    59    60  10.50000 -1.0 2.0
END
