* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    152    225     447
    1     0 S   NP   _N1_     1    28.79369    97.15207   -19.40740
    2     1 S   H    _HN1     2     1.02777    77.15300   -84.59716
    3     1 S   H    _H1_     3     1.02962    80.24235    26.92534
    4     1 S   H    _H2_     4     1.02836    50.43558   148.69982
    5     1 S   CT   _CA1     5     1.50139   161.12579   153.03301
    6     5 S   HC   _HA1     6     1.09570   105.21446    55.53760
    7     5 S   CO3  _C1_     7     1.53790   112.48730   -64.63821
    8     7 S   O2Z  _O11     8     1.26365   115.01258   -39.91443
    9     7 S   O2Z  _O12     9     1.26233   114.98583   139.41255
   10     5 S   CT   _CB1    10     1.53116   107.42002   173.52701
   11    10 S   HC   HB11    11     1.09821   109.34736   -49.78788
   12    10 S   HC   HB12    12     1.09822   110.36899    66.76937
   13    10 S   CT   _CG1    13     1.53010   112.74228  -170.89459
   14    13 S   HC   HG11    14     1.09583   110.41376   -63.75223
   15    13 S   HC   HG12    15     1.09648   110.02311    55.46400
   16    13 S   C    _CD1    16     1.51831   112.36800   175.78583
   17    16 S   O    _OE1    17     1.22713   123.27404    -4.00697
   18    16 S   N    _N2_    18     1.38617   111.59285   176.21364
   19    18 S   H    _HN2    19     1.01590   118.96937     1.13453
   20    18 S   CT1  _CA2    20     1.46281   123.49685  -178.81651
   21    20 S   HC   _HA2    21     1.09731   109.40202   -12.55283
   22    20 S   C    _C2_    22     1.53410   108.30308  -128.26734
   23    22 S   O    _O2_    23     1.23012   122.25274  -145.63579
   24    20 S   CT   _CB2    32     1.53413   111.24164   109.60377
   25    24 S   HC   HB21    33     1.09577   109.59499    54.58392
   26    24 S   HC   HB22    34     1.09497   110.68647   173.39461
   27    22 S   N    _N3_    24     1.38513   113.35172    41.71173
   28    27 S   H    _HN3    25     1.01526   118.91185    -0.60101
   29    24 S   S    _SG2    35     1.82778   111.52445   -67.13411
   30    27 S   CT   _CA3    26     1.45452   123.47388   175.14711
   31    30 S   HC   HA31    27     1.09520   109.27720    23.63915
   32    30 S   HC   HA32    28     1.09497   107.11269   140.64758
   33    29 S   CT   _C16    36     1.84565   100.01802   149.44104
   34    33 S   HC   _H6_    37     1.09645   106.19197   -49.07116
   35    30 S   CO3  _C3_    29     1.52921   113.08272   -99.86705
   36    35 S   O2Z  _O31    30     1.26405   115.39137   -44.82634
   37    35 S   O2Z  _O32    31     1.26353   114.99237   136.10465
   38    33 S   CT   _C17    38     1.53923   111.51790    68.95435
   39    38 S   HC   _H25    39     1.09486   110.28230   -53.40902
   40    38 S   HC   _H26    40     1.09786   107.33687  -168.17983
   41    38 S   CT   _C12    41     1.54254   113.41671    71.32781
   42    41 S   HC   _H4_    42     1.09856   108.15386   -61.20082
   43    41 S   CT   _C13    43     1.53967   110.01928    54.71011
   44    43 S   HC   _H21    44     1.09653   109.86078  -176.16855
   45    43 S   HC   _H22    45     1.09571   110.63298    66.18905
   46    41 S   CT   _C5_    58     1.55849   113.83377  -179.17718
   47    46 S   HC   _H3_    59     1.09846   106.87802  -173.75892
   48    43 S   CT   _C14    46     1.52807   111.95261   -54.96092
   49    48 S   HC   _H23    47     1.09736   108.94590   176.91574
   50    48 S   HC   _H24    48     1.09702   109.56891   -67.55909
   51    46 S   CT   _C4_    60     1.53754   110.47769    70.71395
   52    51 S   HC   _H7_    61     1.09440   111.85595   -68.04995
   53    51 S   HC   _H8_    62     1.09478   111.09763   171.79848
   54    51 S   HC   _H9_    63     1.09518   110.82706    52.63786
   55    46 S   CT   _C6_    64     1.54083   113.76132   -53.66948
   56    55 S   HC   _H10    65     1.09417   111.05137   -44.31781
   57    55 S   HC   _H11    66     1.09596   109.90866    75.13076
   58    33 S   CT   _C15    49     1.54518   111.73610  -166.94227
   59    58 S   HC   _H5_    50     1.10024   107.99863   170.68565
   60    55 S   CO4  _C7_    67     1.52477   113.70718  -163.69997
   61    60 S   O    _O33    68     1.22995   122.21911    16.76822
   62    58 S   CO4  _C18    51     1.52505   112.91528    54.63384
   63    62 S   O    _O34    52     1.22419   124.78068  -123.97814
   64    60 S   CT   _C8_    69     1.52339   115.55564  -166.87319
   65    64 S   HC   _H12    70     1.09653   106.45676   -70.96138
   66    64 S   HC   _H13    71     1.09618   108.52813    45.02994
   67    62 S   OS   _O35    53     1.36592   109.79924    57.27760
   68    64 S   CT   _C9_    72     1.53596   113.77731   167.61350
   69    68 S   HC   _H14    73     1.09713   109.52681    48.58030
   70    67 S   CT   _C19    54     1.43074   115.24819  -178.61959
   71    70 S   HC   _H27    55     1.09320   108.10304   175.46460
   72    70 S   HC   _H28    56     1.09418   110.35464    56.78064
   73    70 S   HC   _H29    57     1.09394   110.12887   -65.78870
   74    68 S   CT   _C10    74     1.53089   111.37519   -71.13457
   75    74 S   HC   _H15    75     1.09544   111.26321   -60.17707
   76    74 S   HC   _H16    76     1.09533   110.65323   179.89913
   77    74 S   HC   _H17    77     1.09437   111.41898    60.33044
   78    68 S   CT   _C11    78     1.52993   110.02690   166.96602
   79    78 S   HC   _H18    79     1.09540   111.30969    60.56494
   80    78 S   HC   _H19    80     1.09515   110.80066   -59.68851
   81    78 S   HC   _H20    81     1.09519   110.81872  -179.17291
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  15   6   5  18   8  12   6   5  12   8   7
   4   3   7   3   2   1   8   4   3   5   3   8   4   6   2  12
   5   4   4   9   8   3   2   1   1   7   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    58    59    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    50    58    59    62    63    67    46  
   38    39    40    41    48    58    59    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    58    59    62    46    47    51    55  
   40    41    42    43    58    46  
   41    42    43    58    46  
   42    43    44    45    48    49    50    58    46    47    51    52    53    54    55    56    57    60  
   43    44    45    48    46    47    51    55  
   44    45    48    49    50    58    59    62    46    47    51    55  
   45    48    49    50    58    46  
   48    49    50    58    46  
   47    51    52    53    54    55    56    57    60    61    64    48  
   51    52    53    54    55    56    57    60  
   49    50    58    59    62    63    67  
   50    58    59    62  
   58    59    62  
   52    53    54    55    56    57    60  
   53    54    55  
   54    55  
   55  
   56    57    60    61    64    65    66    68  
   57    60    61    64  
   60    61    64  
   59    62    63    67    70  
   62    63    67  
   61    64    65    66    68    69    74    78  
   64    65    66    68  
   63    67    70    71    72    73  
   67    70  
   65    66    68    69    74    75    76    77    78    79    80    81  
   66    68    69    74    78  
   68    69    74    78  
   70    71    72    73  
   69    74    75    76    77    78    79    80    81  
   74    75    76    77    78    79    80    81  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    58   268.000  1.529
   58    59   340.000  1.090
   58    62   317.000  1.522
   62    63   570.000  1.229
   62    67   214.000  1.327
   67    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    55   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   317.000  1.522
   60    61   570.000  1.229
   60    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    78   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    58    48    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    62    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    51    58.35000  112.70000
   41    46    55    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    58    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    58    59    37.50000  110.70000
   48    58    62    63.00000  111.10000
   50    48    49    33.00000  107.80000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    48    49    37.50000  110.70000
   58    48    50    37.50000  110.70000
   58    62    63    80.00000  120.40000
   58    62    67    81.00000  111.40000
   62    58    59    35.00000  109.50000
   62    67    70    83.00000  116.90000
   67    62    63    83.00000  123.40000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   46    55    56    37.50000  110.70000
   46    55    57    37.50000  110.70000
   46    55    60    63.00000  111.10000
   51    46    47    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    46    47    37.50000  110.70000
   55    46    51    58.35000  112.70000
   55    60    61    80.00000  120.40000
   55    60    64    70.00000  116.00000
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    68    63.00000  111.10000
   64    60    61    80.00000  120.40000
   64    68    69    37.50000  110.70000
   64    68    74    58.35000  112.70000
   64    68    78    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   68    78    79    37.50000  110.70000
   68    78    80    37.50000  110.70000
   68    78    81    37.50000  110.70000
   74    68    69    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    68    69    37.50000  110.70000
   78    68    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    58    48   0.44750  1.0 1.0
   29    33    58    48  -0.17800 -1.0 2.0
   29    33    58    48   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    62   0.56750  1.0 1.0
   29    33    58    62  -0.07550 -1.0 2.0
   29    33    58    62   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    58    62    63   0.30150 -1.0 2.0
   33    58    62    67   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    58    48   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    62  -0.11250  1.0 3.0
   38    33    58    48   0.56750  1.0 1.0
   38    33    58    48  -0.07550 -1.0 2.0
   38    33    58    48   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    62  -0.95700  1.0 1.0
   38    33    58    62  -0.18200 -1.0 2.0
   38    33    58    62   0.29450  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    48   0.56750  1.0 1.0
   38    41   -43    48  -0.07550 -1.0 2.0
   38    41   -43    48   0.20000  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    51   0.56750  1.0 1.0
   38    41    46    51  -0.07550 -1.0 2.0
   38    41    46    51   0.20000  1.0 3.0
   38    41    46    55   0.56750  1.0 1.0
   38    41    46    55  -0.07550 -1.0 2.0
   38    41    46    55   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.15000  1.0 3.0
   41    43    48    58   0.56750  1.0 1.0
   41    43    48    58  -0.07550 -1.0 2.0
   41    43    48    58   0.20000  1.0 3.0
   41    46    51    52   0.15000  1.0 3.0
   41    46    51    53   0.15000  1.0 3.0
   41    46    51    54   0.15000  1.0 3.0
   41    46    55    56   0.15000  1.0 3.0
   41    46    55    57   0.15000  1.0 3.0
   41    46    55    60  -0.95700  1.0 1.0
   41    46    55    60  -0.18200 -1.0 2.0
   41    46    55    60   0.29450  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    51   0.15000  1.0 3.0
   42    41    46    55   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    51   0.56750  1.0 1.0
   43    41    46    51  -0.07550 -1.0 2.0
   43    41    46    51   0.20000  1.0 3.0
   43    41    46    55   0.56750  1.0 1.0
   43    41    46    55  -0.07550 -1.0 2.0
   43    41    46    55   0.20000  1.0 3.0
   43    48   -58    33   0.56750  1.0 1.0
   43    48   -58    33  -0.07550 -1.0 2.0
   43    48   -58    33   0.20000  1.0 3.0
   43    48    58    59   0.15000  1.0 3.0
   43    48    58    62  -0.95700  1.0 1.0
   43    48    58    62  -0.18200 -1.0 2.0
   43    48    58    62   0.29450  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    58   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    58   0.15000  1.0 3.0
   48    58    62    63   0.30150 -1.0 2.0
   48    58    62    67   0.36750  1.0 3.0
   49    48    58    33   0.15000  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    62  -0.11250  1.0 3.0
   50    48    58    33   0.15000  1.0 3.0
   50    48    58    59   0.15000  1.0 3.0
   50    48    58    62  -0.11250  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.15000  1.0 3.0
   58    33   -38    41   0.56750  1.0 1.0
   58    33   -38    41  -0.07550 -1.0 2.0
   58    33   -38    41   0.20000  1.0 3.0
   58    62    67    70   1.63150  1.0 1.0
   58    62    67    70   2.92000 -1.0 2.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    67   0.00000  1.0 1.0
   62    67    70    71   0.08050  1.0 3.0
   62    67    70    72   0.08050  1.0 3.0
   62    67    70    73   0.08050  1.0 3.0
   63    62    67    70   3.00000 -1.0 2.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    41    43    48   0.56750  1.0 1.0
   46    41    43    48  -0.07550 -1.0 2.0
   46    41    43    48   0.20000  1.0 3.0
   46    55    60    61   0.30150 -1.0 2.0
   46    55    60    64   0.60050  1.0 1.0
   46    55    60    64   0.05600 -1.0 2.0
   46    55    60    64   0.26150  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    57   0.15000  1.0 3.0
   47    46    55    60  -0.11250  1.0 3.0
   51    46    55    56   0.15000  1.0 3.0
   51    46    55    57   0.15000  1.0 3.0
   51    46    55    60  -0.95700  1.0 1.0
   51    46    55    60  -0.18200 -1.0 2.0
   51    46    55    60   0.29450  1.0 3.0
   55    46    51    52   0.15000  1.0 3.0
   55    46    51    53   0.15000  1.0 3.0
   55    46    51    54   0.15000  1.0 3.0
   55    60    64    65   0.00000  1.0 1.0
   55    60    64    66   0.00000  1.0 1.0
   55    60    64    68   0.60050  1.0 1.0
   55    60    64    68   0.05600 -1.0 2.0
   55    60    64    68   0.26150  1.0 3.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    64   0.00000  1.0 1.0
   57    55    60    61   0.00000  1.0 1.0
   57    55    60    64   0.00000  1.0 1.0
   60    64    68    69  -0.11250  1.0 3.0
   60    64    68    74  -0.95700  1.0 1.0
   60    64    68    74  -0.18200 -1.0 2.0
   60    64    68    74   0.29450  1.0 3.0
   60    64    68    78  -0.95700  1.0 1.0
   60    64    68    78  -0.18200 -1.0 2.0
   60    64    68    78   0.29450  1.0 3.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    66   0.00000  1.0 1.0
   61    60    64    68   0.30150 -1.0 2.0
   64    68    74    75   0.15000  1.0 3.0
   64    68    74    76   0.15000  1.0 3.0
   64    68    74    77   0.15000  1.0 3.0
   64    68    78    79   0.15000  1.0 3.0
   64    68    78    80   0.15000  1.0 3.0
   64    68    78    81   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    74   0.15000  1.0 3.0
   65    64    68    78   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    74   0.15000  1.0 3.0
   66    64    68    78   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   69    68    78    79   0.15000  1.0 3.0
   69    68    78    80   0.15000  1.0 3.0
   69    68    78    81   0.15000  1.0 3.0
   74    68    78    79   0.15000  1.0 3.0
   74    68    78    80   0.15000  1.0 3.0
   74    68    78    81   0.15000  1.0 3.0
   78    68    74    75   0.15000  1.0 3.0
   78    68    74    76   0.15000  1.0 3.0
   78    68    74    77   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
   36    30    35    37  10.50000 -1.0 2.0
   58    67    62    63  10.50000 -1.0 2.0
   55    64    60    61  10.50000 -1.0 2.0
END
