* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    144    225     424
    1     0 S   NP   _N1_     1    30.16381    99.07567   -23.74383
    2     1 S   H    _HN1     2     1.02975    82.82675   -68.73584
    3     1 S   H    _H1_     3     1.02764    36.67877   159.23464
    4     1 S   H    _H2_     4     1.03052   143.25446  -178.34259
    5     1 S   CT   _CA1     5     1.50344    95.80218    40.98990
    6     5 S   HC   _HA1     6     1.09558   105.38305    88.95776
    7     5 S   CO3  _C1_     7     1.53690   112.92190   -31.81836
    8     7 S   O2Z  _O11     8     1.26360   115.06859   -39.86170
    9     7 S   O2Z  _O12     9     1.26274   114.97475   139.70716
   10     5 S   CT   _CB1    10     1.52700   106.73291  -153.35071
   11    10 S   HC   HB11    11     1.09537   108.37256   -52.49463
   12    10 S   HC   HB12    12     1.09847   110.41850    63.48923
   13    10 S   CT   _CG1    13     1.52788   114.11380  -173.10963
   14    13 S   HC   HG11    14     1.09427   111.23513   -62.57923
   15    13 S   HC   HG12    15     1.09574   110.98223    57.36447
   16    13 S   C    _CD1    16     1.51396   109.34183   178.21140
   17    16 S   O    _OE1    17     1.22805   121.65882   101.90809
   18    16 S   N    _N2_    18     1.38478   112.92685   -76.09261
   19    18 S   H    _HN2    19     1.01583   119.20551    -3.09598
   20    18 S   CT1  _CA2    20     1.46105   123.14909   173.58283
   21    20 S   HC   _HA2    21     1.09504   108.87295   -10.26008
   22    20 S   C    _C2_    22     1.53726   108.43363  -125.17587
   23    22 S   O    _O2_    23     1.23054   122.10591  -151.84807
   24    20 S   CT   _CB2    32     1.53541   112.14063   112.45218
   25    24 S   HC   HB21    33     1.09665   109.26488    64.95929
   26    24 S   HC   HB22    34     1.09561   111.15614  -177.81959
   27    22 S   N    _N3_    24     1.38500   113.82516    35.18711
   28    27 S   H    _HN3    25     1.01502   119.22720    -1.25133
   29    24 S   S    _SG2    35     1.82663   114.22412   -53.93040
   30    27 S   CT   _CA3    26     1.45385   123.27031   178.31972
   31    30 S   HC   HA31    27     1.09561   107.03148   -71.77101
   32    30 S   HC   HA32    28     1.09553   108.35853    44.49129
   33    29 S   CT   _C14    36     1.83307   100.62086   -81.54025
   34    33 S   F    F4__    37     1.36479   108.10840   -76.42839
   35    33 S   F    F5__    38     1.36298   109.88419    37.65381
   36    30 S   CO3  _C3_    29     1.53114   114.47858   166.47099
   37    36 S   O2Z  _O31    30     1.26392   116.33518   -15.73221
   38    36 S   O2Z  _O32    31     1.26425   114.41942   164.59145
   39    33 S   CA   _C9_    39     1.51058   109.49442   160.94687
   40    39 S   CA   _C8_    40     1.38496   120.13854   -87.40398
   41    40 S   HA   _H7_    41     1.08613   119.61012    -2.25897
   42    39 S   NB   _N4_    52     1.35126   117.63765    89.64807
   43    40 S   CA   _C7_    42     1.39966   119.57439   176.09355
   44    43 S   CA   _C6_    43     1.42284   118.63514     0.31898
   45    43 S   CT   _C15    57     1.52647   118.84708  -177.54816
   46    45 S   HC   _H3_    58     1.09590   108.31352  -143.31181
   47    44 S   CA   _C5_    44     1.41419   123.60095  -179.34329
   48    47 S   HA   _H6_    45     1.08656   121.38953     0.24787
   49    45 S   CT   _C16    59     1.54741   111.87425    94.62646
   50    49 S   HC   _H4_    60     1.09684   110.14355    55.21432
   51    45 S   OH   _O33    76     1.43039   110.33755   -28.65714
   52    51 S   HO   _H19    77     0.97184   108.19268  -152.77073
   53    47 S   CA   _C4_    46     1.39096   121.58335  -179.84298
   54    53 S   HA   _H5_    47     1.08614   120.21263   179.91607
   55    49 S   CT   _C17    61     1.53602   114.67921   -69.60753
   56    55 S   HC   _H9_    62     1.09532   110.30853    63.46115
   57    55 S   HC   _H10    63     1.09698   110.42817   -54.59526
   58    53 S   CA   _C12    48     1.38513   119.55713    -0.07913
   59    58 S   HA   _H8_    49     1.08731   118.97777   180.00000
   60    55 S   CT   _C18    64     1.52869   111.67977  -175.95639
   61    60 S   HC   _H11    65     1.09701   109.38461   -66.10307
   62    60 S   HC   _H12    66     1.09540   109.82208   176.88498
   63    58 S   CA   _C11    50     1.40150   120.28891    -0.16432
   64    60 S   CT   _C19    67     1.52486   111.42326    55.09004
   65    64 S   HC   _H13    68     1.09723   109.34096    67.20929
   66    64 S   HC   _H14    69     1.09562   109.71126  -175.84999
   67    44 S   CA   _C10    51     1.41794   117.97804     0.43296
   68    63 S   CT   _C13    53     1.50947   119.17459  -179.72305
   69    68 S   F    F1__    54     1.36375   113.66849    -0.45111
   70    68 S   F    F2__    55     1.36235   112.74536   119.41054
   71    68 S   F    F3__    56     1.36231   112.76593  -120.31786
   72    64 S   CT   _C20    70     1.51918   111.42450   -54.17874
   73    72 S   HC   _H15    71     1.09390   111.51426   172.88658
   74    72 S   HC   _H16    72     1.09486   112.24989   -64.07597
   75    49 S   NP   _N5_    73     1.51248   108.32534   170.38996
   76    75 S   H    _H17    74     1.02969   109.44141    61.18235
   77    75 S   H    _H18    75     1.02918   109.60951   -54.65887
  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   6   5   4   3
   8   4   3   2   1   1   8  10   4   7  14  12  15   6   7   4
  16   9   3   1   6   3  12   6   5   7   3   9   5   4   5   8
   5   4   4   3   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    43    67    42  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    43    44    63    67    42    45  
   41    43    44    47    67    42    45    46    49    51  
   43    44    42    45  
   68    43    44    47    58    63    67  
   44    47    48    53    63    67    45    46    49    50    55    75    51    52  
   47    48    53    54    58    63    67    68    45    46    49    51  
   46    49    50    55    56    57    60    72    75    76    77    51    52    47    67  
   49    50    55    75    51    52  
   48    53    54    58    59    63    67  
   53    54    58    67  
   50    55    56    57    60    61    62    64    72    73    74    75    76    77    51    52  
   55    56    57    60    72    75    76    77    51  
   52    55    75  
    0  
   54    58    59    63    67    68  
   58    59    63  
   56    57    60    61    62    64    65    66    72    75    76    77  
   57    60    61    62    64    75  
   60    61    62    64    75  
   59    63    67    68    69    70    71  
   63    67    68  
   61    62    64    65    66    72    73    74    75  
   62    64    65    66    72  
   64    65    66    72  
   67    68    69    70    71  
   65    66    72    73    74    75    76    77  
   66    72    73    74    75  
   72    73    74    75  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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  -0.175000   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   3.2500   0.0620   0.362500   2.4950   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700   0.370500   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.484900   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.197000   1.3810   1.2100   0.030040813   0.268726247
   42   3.2800   0.1700  -0.731100   1.8650   1.6500   0.001000000  -0.511443539
   43   3.5500   0.0700   0.066100   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.173600   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.167300   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.152800   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.206000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.155400   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.043300   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.138800   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.353500   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700   0.734100   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.0620   0.715000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   70   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   71   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   76   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.310000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    42   483.000  1.339
   40    41   367.000  1.080
   40    43   469.000  1.400
   43    44   469.000  1.400
   43    45   317.000  1.510
   44    47   469.000  1.400
   44    67   469.000  1.400
   47    48   367.000  1.080
   47    53   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    67   469.000  1.400
   63    68   317.000  1.510
   67    42   483.000  1.339
   68    69   367.000  1.332
   68    70   367.000  1.332
   68    71   367.000  1.332
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   320.000  1.410
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    75   367.000  1.471
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   268.000  1.529
   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    74   340.000  1.090
   72    75   367.000  1.471
   75    76   434.000  1.010
   75    77   434.000  1.010
   51    52   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    42    75.00000  115.74700
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    43    63.00000  120.00000
   39    42    67    70.00000  117.00000
   40    43    44    63.00000  120.00000
   40    43    45    70.00000  120.00000
   43    40    41    35.00000  120.00000
   43    44    47    63.00000  120.00000
   43    44    67    63.00000  120.00000
   43    45    46    35.00000  109.50000
   43    45    49    70.00000  112.17500
   43    45    51    90.00000  112.51600
   44    47    48    35.00000  120.00000
   44    47    53    63.00000  120.00000
   44    67    63    63.00000  120.00000
   44    67    42    70.00000  124.00000
   47    53    54    35.00000  120.00000
   47    53    58    63.00000  120.00000
   53    47    48    35.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    63    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    63    67    63.00000  120.00000
   58    63    68    70.00000  120.00000
   63    58    59    35.00000  120.00000
   63    67    42    70.00000  124.00000
   63    68    69    50.00000  109.50000
   63    68    70    50.00000  109.50000
   63    68    71    50.00000  109.50000
   67    44    47    63.00000  120.00000
   42    39    40    70.00000  124.00000
   68    63    67    70.00000  120.00000
   70    68    69    77.00000  109.10000
   71    68    69    77.00000  109.10000
   71    68    70    77.00000  109.10000
   45    43    44    70.00000  120.00000
   45    49    50    37.50000  110.70000
   45    49    55    58.35000  112.70000
   45    49    75    80.00000  111.20000
   45    51    52    55.00000  108.50000
   49    45    46    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    60    58.35000  112.70000
   49    75    72    75.00000  113.01200
   49    75    76    35.00000  109.50000
   49    75    77    35.00000  109.50000
   55    49    50    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    64    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    72    58.35000  112.70000
   62    60    61    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    37.50000  110.70000
   64    72    73    37.50000  110.70000
   64    72    74    37.50000  110.70000
   64    72    75    80.00000  111.20000
   66    64    65    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    49    50    35.00000  109.50000
   75    49    55    80.00000  111.20000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   77    75    76    35.00000  109.50000
   51    45    46    35.00000  109.50000
   51    45    49    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    42   0.04300 -1.0 2.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    43   3.62500 -1.0 2.0
   33    39    42    67   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.21350  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.21350  1.0 3.0
   39    40    43    44   3.62500 -1.0 2.0
   39    40    43    45   3.62500 -1.0 2.0
   40    39    42    67   3.62500 -1.0 2.0
   40    43    44    47   3.62500 -1.0 2.0
   40    43   -44    67   3.62500 -1.0 2.0
   40    43    45    46   0.00000  1.0 1.0
   40    43    45    49   0.04150 -1.0 2.0
   40    43    45    51   0.14300 -1.0 2.0
   40    43    45    51   0.00300  1.0 3.0
   41    40    43    44   3.62500 -1.0 2.0
   41    40    43    45   3.62500 -1.0 2.0
   43    44    47    48   3.62500 -1.0 2.0
   43    44    47    53   3.62500 -1.0 2.0
   43    44    67    63   3.62500 -1.0 2.0
   43    44    67    42   3.62500 -1.0 2.0
   43    45    49    50   0.43200  1.0 3.0
   43    45    49    55  -0.03700  1.0 1.0
   43    45    49    55   0.37200 -1.0 2.0
   43    45    49    55  -0.47300  1.0 3.0
   43    45    49    75   1.24050  1.0 1.0
   43    45    49    75   0.48100 -1.0 2.0
   43    45    49    75   1.08150  1.0 3.0
   43    45    51    52   0.31900  1.0 1.0
   43    45    51    52  -0.11800 -1.0 2.0
   43    45    51    52   0.38750  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    49   0.04150 -1.0 2.0
   44    43    45    51   0.14300 -1.0 2.0
   44    43    45    51   0.00300  1.0 3.0
   44    47    53    54   3.62500 -1.0 2.0
   44    47    53    58   3.62500 -1.0 2.0
   44    67   -42    39   3.62500 -1.0 2.0
   47    44    67    63   3.62500 -1.0 2.0
   47    44    67    42   3.62500 -1.0 2.0
   47    53    58    59   3.62500 -1.0 2.0
   47    53   -58    63   3.62500 -1.0 2.0
   48    47    53    54   3.62500 -1.0 2.0
   48    47    53    58   3.62500 -1.0 2.0
   53    58    63    67   3.62500 -1.0 2.0
   53    58    63    68   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    63   3.62500 -1.0 2.0
   58    63   -67    44   3.62500 -1.0 2.0
   58    63    67    42   3.62500 -1.0 2.0
   58    63    68    69   0.00000  1.0 1.0
   58    63    68    70   0.00000  1.0 1.0
   58    63    68    71   0.00000  1.0 1.0
   59    58    63    67   3.62500 -1.0 2.0
   59    58    63    68   3.62500 -1.0 2.0
   63    67    42    39   3.62500 -1.0 2.0
   67    44    47    48   3.62500 -1.0 2.0
   67    44   -47    53   3.62500 -1.0 2.0
   67    63    68    69   0.00000  1.0 1.0
   67    63    68    70   0.00000  1.0 1.0
   67    63    68    71   0.00000  1.0 1.0
   42    39    40    41   3.62500 -1.0 2.0
   42    39   -40    43   3.62500 -1.0 2.0
   68    63    67    44   3.62500 -1.0 2.0
   68    63    67    42   3.62500 -1.0 2.0
   45    43    44    47   3.62500 -1.0 2.0
   45    43    44    67   3.62500 -1.0 2.0
   45    49    55    56   0.15000  1.0 3.0
   45    49    55    57   0.15000  1.0 3.0
   45    49    55    60   0.56750  1.0 1.0
   45    49    55    60  -0.07550 -1.0 2.0
   45    49    55    60   0.20000  1.0 3.0
   45    49    75    72   0.47100  1.0 1.0
   45    49    75    76   0.17350  1.0 3.0
   45    49    75    77   0.17350  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    55   0.15000  1.0 3.0
   46    45    49    75   0.19200  1.0 3.0
   46    45    51    52   0.19450  1.0 3.0
   49    45    51    52  -0.11600  1.0 1.0
   49    45    51    52  -0.09450 -1.0 2.0
   49    45    51    52   0.21250  1.0 3.0
   49    55    60    61   0.15000  1.0 3.0
   49    55    60    62   0.15000  1.0 3.0
   49    55    60    64   0.56750  1.0 1.0
   49    55    60    64  -0.07550 -1.0 2.0
   49    55    60    64   0.20000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    60   0.15000  1.0 3.0
   50    49    75    72   0.15000  1.0 3.0
   50    49    75    76   0.13050  1.0 3.0
   50    49    75    77   0.13050  1.0 3.0
   55    49    75    72   0.47100  1.0 1.0
   55    49    75    76   0.17350  1.0 3.0
   55    49    75    77   0.17350  1.0 3.0
   55    60    64    65   0.15000  1.0 3.0
   55    60    64    66   0.15000  1.0 3.0
   55    60   -64    72   0.56750  1.0 1.0
   55    60   -64    72  -0.07550 -1.0 2.0
   55    60   -64    72   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    64   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    64   0.15000  1.0 3.0
   60    64    72    73   0.15000  1.0 3.0
   60    64    72    74   0.15000  1.0 3.0
   60    64    72    75   1.36600  1.0 1.0
   60    64    72    75  -0.11450 -1.0 2.0
   60    64    72    75   0.24250  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    72   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    72   0.15000  1.0 3.0
   64    72   -75    49   0.47100  1.0 1.0
   64    72    75    76   0.17350  1.0 3.0
   64    72    75    77   0.17350  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    74   0.15000  1.0 3.0
   65    64    72    75   0.19200  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    74   0.15000  1.0 3.0
   66    64    72    75   0.19200  1.0 3.0
   73    72    75    49   0.15000  1.0 3.0
   73    72    75    76   0.13050  1.0 3.0
   73    72    75    77   0.13050  1.0 3.0
   74    72    75    49   0.15000  1.0 3.0
   74    72    75    76   0.13050  1.0 3.0
   74    72    75    77   0.13050  1.0 3.0
   75    49    55    56   0.19200  1.0 3.0
   75    49    55    57   0.19200  1.0 3.0
   75    49   -55    60   1.36600  1.0 1.0
   75    49   -55    60  -0.11450 -1.0 2.0
   75    49   -55    60   0.24250  1.0 3.0
   51    45    49    50   0.23400  1.0 3.0
   51    45    49    55   0.86500  1.0 1.0
   51    45    49    55  -0.17500 -1.0 2.0
   51    45    49    55   0.20800  1.0 3.0
   51    45    49    75   1.69300  1.0 1.0
   51    45    49    75  -0.48450 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   40    42    39    33   4.00000 -1.0 2.0
   43    41    40    39   1.10000 -1.0 2.0
   44    45    43    40   4.00000 -1.0 2.0
   47    67    44    43   4.00000 -1.0 2.0
   53    48    47    44   1.10000 -1.0 2.0
   58    54    53    47   1.10000 -1.0 2.0
   63    59    58    53   1.10000 -1.0 2.0
   67    68    63    58   4.00000 -1.0 2.0
   63    42    67    44   4.00000 -1.0 2.0
END
