* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    152    255     461
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02050    95.99967    29.54635
    3     1 S   H    _H1_     3     1.02141    34.32175   144.22427
    4     1 S   H    _H2_     4     1.02082    83.74418   -78.66000
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.85527    97.30162  -178.14523
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C18    37     1.54637   109.46550    59.99038
   38    37 S   HC   _H36    38     1.08528   110.51816   -68.62042
   39    33 S   CT   _C20    70     1.55663   110.59214  -175.94894
   40    39 S   HC   _H38    71     1.09133   109.62510   -56.14314
   41    33 S   OH   _O29    82     1.43574   107.27805   -56.46087
   42    41 S   HO   _H49    83     0.96636   105.95205    57.71383
   43    37 S   CO4  _C15    39     1.52462   110.40354   173.85918
   44    43 S   O    _O24    40     1.23187   120.53769   133.27868
   45    39 S   NTH2 _N22    72     1.47090   111.12228    60.64772
   46    45 S   H    _H44    73     0.98826   117.11581   -35.71091
   47    45 S   H    _H45    74     0.98842   117.11320   157.70811
   48    37 S   C    _C16    77     1.50331   114.67267    48.11943
   49    48 S   O    _O25    78     1.22828   122.11906    29.40934
   50    43 S   CT   _C21    41     1.52653   117.35807   -50.15122
   51    48 S   N    _N21    79     1.37510   113.77449  -149.73896
   52    51 S   H    _H42    80     1.01511   118.66658     0.06853
   53    51 S   H    _H43    81     1.01442   122.61695   180.00000
   54    50 S   CO4  _C14    42     1.52254   112.66218   -78.22855
   55    54 S   O    _O23    43     1.22957   121.62224   -32.90153
   56    50 S   OH   _O28    75     1.42813   107.10066   170.52666
   57    56 S   HO   _H48    76     0.96989   106.44591    58.43920
   58    54 S   CA   _C9_    44     1.48540   118.89845   149.50270
   59    58 S   CA   _C10    45     1.39778   120.23574     3.16997
   60    58 S   CA   _C13    56     1.40068   119.42126  -176.66088
   61    59 S   CA   _C11    46     1.40246   119.06240   178.98644
   62    60 S   OH   _O27    57     1.36739   119.59557    -0.22206
   63    62 S   HO   _H47    58     0.96828   109.88114     0.54930
   64    59 S   CT   _C17    65     1.50330   121.36971     1.51233
   65    64 S   HC   _H34    66     1.10008   111.19716    89.55263
   66    64 S   HC   _H35    67     1.09756   106.39637  -153.77340
   67    61 S   CA   _C7_    47     1.40459   121.30026     1.15910
   68    61 S   CT   _C23    61     1.50343   119.14730  -179.60091
   69    68 S   HC   _H39    62     1.09295   109.78714   -89.26936
   70    68 S   HC   _H40    63     1.09354   110.73687    31.28974
   71    68 S   HC   _H41    64     1.09373   110.70160   150.27481
   72    50 S   CT   _C19    68     1.53874   110.79675    50.64911
   73    72 S   HC   _H37    69     1.09463   107.69104    66.22169
   74    67 S   CA   _C5_    48     1.40481   121.46331   179.54286
   75    74 S   HA   _H32    49     1.08797   121.72085     0.11703
   76    74 S   CA   _C4_    50     1.39525   120.74055  -179.93744
   77    76 S   HA   _H31    51     1.08592   119.94450   179.89913
   78    76 S   CA   _C6_    52     1.39114   119.99463    -0.02798
   79    78 S   HA   _H33    53     1.08649   119.49083   179.89913
   80    78 S   CA   _C12    54     1.39458   119.98664    -0.06853
   81    67 S   CA   _C8_    55     1.41257   119.27824    -0.48376
   82    80 S   OH   _O26    59     1.36615   116.09940   180.00000
   83    82 S   HO   _H46    60     0.96904   110.01900     0.05935
  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
  18   2   1   1  17   8  17   8   5   1  13   5   6   2   1   5
   3  12   2   1   1  12   5   5   1  13  15  10  14   4   1   6
   3   2  12   5   2   1   1   1   1   7   4   6   3   5   3   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    72    39    40    45    48    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    50    64    72    73    39    40    45    46    47    48    49    51    41    42  
   35    36  
   36  
    0  
   38    43    44    50    54    72    39    40    45    56    48    49    51    52    53    41    42  
   43    44    50    39    48    49    51    41  
   40    45    46    47    56    48    41    42    43    50    54    59    64    65    66    72    73  
   45    46    47    41    50    64    72    73  
   42    43    45    48    72  
    0  
   44    50    54    55    58    64    72    73    56    57    48    49    51  
   50    54    72    56    48  
   46    47    50    64    72    73  
   47    72  
   72  
   49    51    52    53    50  
   51    52    53  
   54    55    58    59    60    64    65    66    72    73    56    57  
   52    53  
   53  
    0  
   55    58    59    61    81    60    62    64    72    73    56    57  
   58    59    60    72    56  
   57    58    64    72    73  
   72  
   59    61    67    80    81    60    62    63    68    64    65    66    72  
   61    67    74    81    60    62    68    69    70    71    64    65    66    72    73  
   62    63    82    64    61    67    74    78    80    81  
   67    74    75    76    80    81    68    69    70    71    64    65    66    72  
   63    67    80    81  
   81  
   65    66    72    73    67    68  
   66    72    73  
   72    73  
   74    75    76    77    78    80    81    82    68    69    70    71  
   69    70    71    74    81  
   70    71  
   71  
    0  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78    81  
   77    78    79    80    81    82  
   78    79    80  
   79    80    81    82    83  
   80    81    82  
   81    82    83  
   82    83  
   83  
    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   0.432500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.065000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    39   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    48   317.000  1.522
   43    44   570.000  1.229
   43    50   317.000  1.522
   50    54   317.000  1.522
   50    72   268.000  1.529
   50    56   320.000  1.410
   54    55   570.000  1.229
   54    58   310.000  1.470
   58    59   469.000  1.400
   58    60   469.000  1.400
   59    61   469.000  1.400
   59    64   317.000  1.510
   61    67   469.000  1.400
   61    68   317.000  1.510
   67    74   469.000  1.400
   67    81   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   469.000  1.400
   80    82   450.000  1.364
   81    60   469.000  1.400
   60    62   450.000  1.364
   62    63   553.000  0.945
   82    83   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    39   268.000  1.529
   39    40   340.000  1.090
   39    45   300.000  1.468
   45    46   495.000  1.019
   45    47   495.000  1.019
   56    57   553.000  0.945
   48    49   570.000  1.229
   48    51   490.000  1.335
   51    52   434.000  1.010
   51    53   434.000  1.010
   41    42   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    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  111.63000
   29    33    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    48    63.00000  111.10000
   33    39    72    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    45    80.00000  112.76400
   33    41    42    55.00000  108.50000
   37    43    44    80.00000  120.40000
   37    43    50    70.00000  116.00000
   37    48    49    80.00000  120.40000
   37    48    51    70.00000  116.60000
   43    37    38    35.00000  109.50000
   43    50    54    75.00000  107.99600
   43    50    72    63.00000  111.10000
   43    50    56    90.00000  109.61100
   50    43    44    80.00000  120.40000
   50    54    55    80.00000  120.40000
   50    54    58    65.00000  115.47100
   50    72    64    58.35000  112.70000
   50    72    73    37.50000  110.70000
   50    72    39    58.35000  112.70000
   50    56    57    55.00000  108.50000
   54    58    59    60.00000  119.52600
   54    58    60    60.00000  119.52600
   58    54    55    75.00000  123.78400
   58    59    61    63.00000  120.00000
   58    59    64    70.00000  120.00000
   58    60    81    63.00000  120.00000
   58    60    62    70.00000  120.00000
   59    61    67    63.00000  120.00000
   59    61    68    70.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    72    70.00000  112.17500
   61    67    74    63.00000  120.00000
   61    67    81    63.00000  120.00000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   67    74    75    35.00000  120.00000
   67    74    76    63.00000  120.00000
   67    81    80    63.00000  120.00000
   67    81    60    63.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    63.00000  120.00000
   78    80    82    70.00000  120.00000
   80    78    79    35.00000  120.00000
   80    81    60    63.00000  120.00000
   80    82    83    35.00000  113.00000
   81    67    74    63.00000  120.00000
   81    60    62    70.00000  120.00000
   60    58    59    63.00000  120.00000
   60    62    63    35.00000  113.00000
   82    80    81    70.00000  120.00000
   68    61    67    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   64    59    61    70.00000  120.00000
   64    72    73    37.50000  110.70000
   64    72    39    58.35000  112.70000
   66    64    65    33.00000  107.80000
   72    50    54    63.00000  111.10000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    39    40    37.50000  110.70000
   72    39    45    80.00000  112.76400
   39    33    37    58.35000  112.70000
   39    72    73    37.50000  110.70000
   39    45    46    50.00000  110.30900
   39    45    47    50.00000  110.30900
   45    39    40    50.00000  110.79000
   47    45    46    40.00000  106.77200
   56    50    54    90.00000  109.61100
   56    50    72    50.00000  109.50000
   48    37    38    35.00000  109.50000
   48    37    43    70.00000  107.85200
   48    51    52    35.00000  119.80000
   48    51    53    35.00000  119.80000
   51    48    49    80.00000  122.90000
   53    51    52    35.00000  120.00000
   41    33    37    50.00000  109.50000
   41    33    39    50.00000  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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    38   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    48   0.56750  1.0 1.0
   29    33    37    48  -0.07550 -1.0 2.0
   29    33    37    48   0.20000  1.0 3.0
   29    33    39    72   0.44750  1.0 1.0
   29    33    39    72  -0.17800 -1.0 2.0
   29    33    39    72   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    50   0.60050  1.0 1.0
   33    37    43    50   0.05600 -1.0 2.0
   33    37    43    50   0.26150  1.0 3.0
   33    37    48    49   0.30150 -1.0 2.0
   33    37    48    51   1.39750  1.0 1.0
   33    37    48    51  -0.07950 -1.0 2.0
   33    37    48    51  -0.18750  1.0 3.0
   33    39    45    46   0.21650  1.0 1.0
   33    39    45    46   0.26250 -1.0 2.0
   33    39    45    46   0.12450  1.0 3.0
   33    39    45    47   0.21650  1.0 1.0
   33    39    45    47   0.26250 -1.0 2.0
   33    39    45    47   0.12450  1.0 3.0
   37    33    39    72   0.56750  1.0 1.0
   37    33    39    72  -0.07550 -1.0 2.0
   37    33    39    72   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    45   1.85550  1.0 1.0
   37    33    39    45  -0.84100 -1.0 2.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    43    50    54   0.65300  1.0 1.0
   37    43    50    54  -0.03850 -1.0 2.0
   37    43    50    54   0.33900  1.0 3.0
   37    43   -50    72   0.60050  1.0 1.0
   37    43   -50    72   0.05600 -1.0 2.0
   37    43   -50    72   0.26150  1.0 3.0
   37    43    50    56   0.55300  1.0 1.0
   37    43    50    56   1.25850 -1.0 2.0
   37    43    50    56  -0.23600  1.0 3.0
   37    48    51    52   2.45000 -1.0 2.0
   37    48    51    53   2.45000 -1.0 2.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    50   0.00000  1.0 1.0
   38    37    48    49   0.00000  1.0 1.0
   38    37    48    51   0.00000  1.0 1.0
   43    37    48    49   0.30150 -1.0 2.0
   43    37    48    51   0.00000  1.0 1.0
   43    50    54    55   0.30150 -1.0 2.0
   43    50    54    58   0.65300  1.0 1.0
   43    50    54    58  -0.03850 -1.0 2.0
   43    50    54    58   0.33900  1.0 3.0
   43    50    72    64  -0.95700  1.0 1.0
   43    50    72    64  -0.18200 -1.0 2.0
   43    50    72    64   0.29450  1.0 3.0
   43    50    72    73  -0.11250  1.0 3.0
   43    50    72    39  -0.95700  1.0 1.0
   43    50    72    39  -0.18200 -1.0 2.0
   43    50    72    39   0.29450  1.0 3.0
   43    50    56    57   0.91850  1.0 1.0
   43    50    56    57   0.57950  1.0 3.0
   44    43    50    54   0.30150 -1.0 2.0
   44    43    50    72   0.30150 -1.0 2.0
   44    43    50    56   0.30150 -1.0 2.0
   50    54    58    59   2.26350  1.0 1.0
   50    54    58    59   0.76750 -1.0 2.0
   50    54    58    59   0.22500  1.0 3.0
   50    54    58    60   2.26350  1.0 1.0
   50    54    58    60   0.76750 -1.0 2.0
   50    54    58    60   0.22500  1.0 3.0
   50    72   -39    33   0.56750  1.0 1.0
   50    72   -39    33  -0.07550 -1.0 2.0
   50    72   -39    33   0.20000  1.0 3.0
   50    72    39    40   0.15000  1.0 3.0
   50    72    39    45   1.85550  1.0 1.0
   50    72    39    45  -0.84100 -1.0 2.0
   54    50    72    64  -0.95700  1.0 1.0
   54    50    72    64  -0.18200 -1.0 2.0
   54    50    72    64   0.29450  1.0 3.0
   54    50    72    73  -0.11250  1.0 3.0
   54    50    72    39  -0.95700  1.0 1.0
   54    50    72    39  -0.18200 -1.0 2.0
   54    50    72    39   0.29450  1.0 3.0
   54    50    56    57   0.91850  1.0 1.0
   54    50    56    57   0.57950  1.0 3.0
   54    58    59    61   3.62500 -1.0 2.0
   54    58   -59    64   3.62500 -1.0 2.0
   54    58    60    81   3.62500 -1.0 2.0
   54    58    60    62   3.62500 -1.0 2.0
   55    54    58    59   1.05000 -1.0 2.0
   55    54    58    60   1.05000 -1.0 2.0
   58    59    61    67   3.62500 -1.0 2.0
   58    59    61    68   3.62500 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    72   0.04150 -1.0 2.0
   58    60    62    63   0.84100 -1.0 2.0
   59    58    60    81   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   59    61    67    74   3.62500 -1.0 2.0
   59    61   -67    81   3.62500 -1.0 2.0
   59    61    68    69   0.00000  1.0 1.0
   59    61    68    70   0.00000  1.0 1.0
   59    61    68    71   0.00000  1.0 1.0
   59    64   -72    50  -0.03700  1.0 1.0
   59    64   -72    50   0.37200 -1.0 2.0
   59    64   -72    50  -0.47300  1.0 3.0
   59    64    72    73   0.43200  1.0 3.0
   59    64    72    39  -0.03700  1.0 1.0
   59    64    72    39   0.37200 -1.0 2.0
   59    64    72    39  -0.47300  1.0 3.0
   61    59    64    65   0.00000  1.0 1.0
   61    59    64    66   0.00000  1.0 1.0
   61    59    64    72   0.04150 -1.0 2.0
   61    67    74    75   3.62500 -1.0 2.0
   61    67    74    76   3.62500 -1.0 2.0
   61    67    81    80   3.62500 -1.0 2.0
   61    67    81    60   3.62500 -1.0 2.0
   67    61    68    69   0.00000  1.0 1.0
   67    61    68    70   0.00000  1.0 1.0
   67    61    68    71   0.00000  1.0 1.0
   67    74    76    77   3.62500 -1.0 2.0
   67    74    76    78   3.62500 -1.0 2.0
   67    81   -60    58   3.62500 -1.0 2.0
   67    81    60    62   3.62500 -1.0 2.0
   74    67    81    80   3.62500 -1.0 2.0
   74    67    81    60   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76   -78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   76    78    80    82   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    80   -81    67   3.62500 -1.0 2.0
   78    80    81    60   3.62500 -1.0 2.0
   78    80    82    83   0.84100 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    81    60    58   3.62500 -1.0 2.0
   80    81    60    62   3.62500 -1.0 2.0
   81    67    74    75   3.62500 -1.0 2.0
   81    67   -74    76   3.62500 -1.0 2.0
   81    80    82    83   0.84100 -1.0 2.0
   81    60    62    63   0.84100 -1.0 2.0
   60    58   -59    61   3.62500 -1.0 2.0
   60    58    59    64   3.62500 -1.0 2.0
   82    80    81    67   3.62500 -1.0 2.0
   82    80    81    60   3.62500 -1.0 2.0
   68    61    67    74   3.62500 -1.0 2.0
   68    61    67    81   3.62500 -1.0 2.0
   64    59    61    67   3.62500 -1.0 2.0
   64    59    61    68   3.62500 -1.0 2.0
   64    72    39    33   0.56750  1.0 1.0
   64    72    39    33  -0.07550 -1.0 2.0
   64    72    39    33   0.20000  1.0 3.0
   64    72    39    40   0.15000  1.0 3.0
   64    72    39    45   1.85550  1.0 1.0
   64    72    39    45  -0.84100 -1.0 2.0
   65    64    72    50   0.15000  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    39   0.15000  1.0 3.0
   66    64    72    50   0.15000  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    39   0.15000  1.0 3.0
   72    50    54    55   0.30150 -1.0 2.0
   72    50   -54    58   0.05850 -1.0 2.0
   72    50   -54    58   0.17250  1.0 3.0
   72    50    56    57  -0.11600  1.0 1.0
   72    50    56    57  -0.09450 -1.0 2.0
   72    50    56    57   0.21250  1.0 3.0
   72    39    45    46   0.21650  1.0 1.0
   72    39    45    46   0.26250 -1.0 2.0
   72    39    45    46   0.12450  1.0 3.0
   72    39    45    47   0.21650  1.0 1.0
   72    39    45    47   0.26250 -1.0 2.0
   72    39    45    47   0.12450  1.0 3.0
   73    72    39    33   0.15000  1.0 3.0
   73    72    39    40   0.15000  1.0 3.0
   73    72    39    45   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33   -37    43  -0.95700  1.0 1.0
   39    33   -37    43  -0.18200 -1.0 2.0
   39    33   -37    43   0.29450  1.0 3.0
   39    33    37    48  -0.95700  1.0 1.0
   39    33    37    48  -0.18200 -1.0 2.0
   39    33    37    48   0.29450  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   40    39    45    46   0.20000  1.0 3.0
   40    39    45    47   0.20000  1.0 3.0
   56    50    54    55   0.30150 -1.0 2.0
   56    50    54    58   0.65300  1.0 1.0
   56    50    54    58  -0.03850 -1.0 2.0
   56    50    54    58   0.33900  1.0 3.0
   56    50    72    64   0.86500  1.0 1.0
   56    50    72    64  -0.17500 -1.0 2.0
   56    50    72    64   0.20800  1.0 3.0
   56    50    72    73   0.23400  1.0 3.0
   56    50    72    39   0.86500  1.0 1.0
   56    50    72    39  -0.17500 -1.0 2.0
   56    50    72    39   0.20800  1.0 3.0
   48    37    43    44   0.30150 -1.0 2.0
   48    37    43    50   0.65300  1.0 1.0
   48    37    43    50  -0.03850 -1.0 2.0
   48    37    43    50   0.33900  1.0 3.0
   49    48    51    52   2.45000 -1.0 2.0
   49    48    51    53   2.45000 -1.0 2.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    43  -0.09450  1.0 1.0
   41    33    37    43  -1.12950 -1.0 2.0
   41    33    37    43   0.54000  1.0 3.0
   41    33    37    48  -0.09450  1.0 1.0
   41    33    37    48  -1.12950 -1.0 2.0
   41    33    37    48   0.54000  1.0 3.0
   41    33    39    72   0.86500  1.0 1.0
   41    33    39    72  -0.17500 -1.0 2.0
   41    33    39    72   0.20800  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    45   5.28650  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   37    50    43    44  10.50000 -1.0 2.0
   50    58    54    55  10.50000 -1.0 2.0
   59    60    58    54   4.00000 -1.0 2.0
   61    64    59    58   4.00000 -1.0 2.0
   67    68    61    59   4.00000 -1.0 2.0
   74    81    67    61   4.00000 -1.0 2.0
   76    75    74    67   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   81    82    80    78   4.00000 -1.0 2.0
   80    60    81    67   4.00000 -1.0 2.0
   81    62    60    58   4.00000 -1.0 2.0
   37    51    48    49  10.50000 -1.0 2.0
   53    48    51    52   1.00000 -1.0 2.0
END
