* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    144    225     424
    1     0 S   NP   _N1_     1    28.79054    93.29811   -20.64215
    2     1 S   H    _HN1     2     1.02961    96.11756    36.19409
    3     1 S   H    _H1_     3     1.02828    25.11224   154.06596
    4     1 S   H    _H2_     4     1.02783    90.94924   -72.29026
    5     1 S   CT   _CA1     5     1.50132   135.63535   163.81735
    6     5 S   HC   _HA1     6     1.09572   105.25963    54.85177
    7     5 S   CO3  _C1_     7     1.53776   112.39198   -65.42473
    8     7 S   O2Z  _O11     8     1.26364   115.01411   -44.14861
    9     7 S   O2Z  _O12     9     1.26241   114.91535   135.04416
   10     5 S   CT   _CB1    10     1.53036   107.34662   172.75755
   11    10 S   HC   HB11    11     1.09826   109.28556   -50.79670
   12    10 S   HC   HB12    12     1.09813   110.34692    65.70845
   13    10 S   CT   _CG1    13     1.53004   112.83666  -172.07595
   14    13 S   HC   HG11    14     1.09591   110.37133   -63.74032
   15    13 S   HC   HG12    15     1.09635   110.13484    55.56643
   16    13 S   C    _CD1    16     1.51772   112.07237   175.71244
   17    16 S   O    _OE1    17     1.22685   123.19472    -7.11431
   18    16 S   N    _N2_    18     1.38534   111.88413   173.39265
   19    18 S   H    _HN2    19     1.01588   119.11297     0.48819
   20    18 S   CT1  _CA2    20     1.46179   123.14604  -179.31643
   21    20 S   HC   _HA2    21     1.09557   109.20404   -14.91174
   22    20 S   C    _C2_    22     1.53447   108.34619  -130.20926
   23    22 S   O    _O2_    23     1.23013   122.23912  -146.47254
   24    20 S   CT   _CB2    32     1.53350   111.50094   107.60161
   25    24 S   HC   HB21    33     1.09669   109.39736    56.76481
   26    24 S   HC   HB22    34     1.09500   111.34241   174.01359
   27    22 S   N    _N3_    24     1.38514   113.36327    40.92069
   28    27 S   H    _HN3    25     1.01533   118.88899    -0.53302
   29    24 S   S    _SG2    35     1.82785   113.95408   -62.44721
   30    27 S   CT   _CA3    26     1.45453   123.51180   175.27205
   31    30 S   HC   HA31    27     1.09519   109.30908    22.76885
   32    30 S   HC   HA32    28     1.09498   107.09599   139.77559
   33    29 S   CT   _C13    36     1.83505   100.04011   -82.70802
   34    33 S   F    F1__    37     1.36759   108.02555   -53.48828
   35    33 S   F    F2__    38     1.36287   109.35578    59.67174
   36    30 S   CO3  _C3_    29     1.52918   113.09635  -100.77010
   37    36 S   O2Z  _O31    30     1.26404   115.39671   -44.54044
   38    36 S   O2Z  _O32    31     1.26357   114.98365   136.40881
   39    33 S   CA   _C11    39     1.52026   109.96513  -175.42594
   40    39 S   CA   _C12    40     1.40550   117.69121    89.92453
   41    40 S   HA   _H8_    41     1.08779   120.47916     1.00308
   42    40 S   CA   _C4_    42     1.38369   120.56385  -178.65841
   43    42 S   HA   _H5_    43     1.08596   120.29963   179.96574
   44    42 S   CA   _C5_    44     1.38961   119.39675     0.20367
   45    44 S   HA   _H6_    45     1.08658   116.86453   179.71676
   46    44 S   CA   _C6_    46     1.41454   121.72439    -0.10653
   47    46 S   CA   _C7_    47     1.42424   123.28984   179.74977
   48    47 S   CA   _C8_    48     1.39990   118.76684  -179.83568
   49    48 S   HA   _H7_    49     1.08649   120.96317   179.08080
   50    47 S   CT   _C15    57     1.52724   122.16538    -1.09002
   51    50 S   HC   _H3_    58     1.09620   108.04246    40.65902
   52    48 S   CA   _C9_    50     1.38286   119.32671    -0.78185
   53    50 S   CT   _C16    59     1.54673   111.93928   -81.36558
   54    53 S   HC   _H4_    60     1.09662   110.34156    53.32106
   55    50 S   OH   _O33    76     1.43059   110.56267   155.24520
   56    55 S   HO   _H19    77     0.97201   108.11734  -151.87469
   57    52 S   NB   _N4_    51     1.35129   122.25171     1.65398
   58    52 S   CT   _C14    53     1.50295   120.31038   179.88465
   59    58 S   F    F3__    54     1.36355   113.22478    27.71889
   60    58 S   F    F4__    55     1.36129   113.15433   147.59153
   61    58 S   F    F5__    56     1.36149   112.44986   -92.01130
   62    53 S   CT   _C17    61     1.53553   114.52573   -71.50574
   63    62 S   HC   _H9_    62     1.09550   110.17729    63.47539
   64    62 S   HC   _H10    63     1.09710   110.53341   -54.48979
   65    39 S   CA   _C10    52     1.40599   121.72391   -88.55929
   66    62 S   CT   _C18    64     1.52874   111.69047  -175.82965
   67    66 S   HC   _H11    65     1.09702   109.38082   -66.50675
   68    66 S   HC   _H12    66     1.09581   109.70067   176.47347
   69    66 S   CT   _C19    67     1.52546   111.51185    54.70444
   70    69 S   HC   _H13    68     1.09721   109.32088    67.47968
   71    69 S   HC   _H14    69     1.09565   109.70108  -175.60609
   72    69 S   CT   _C20    70     1.51921   111.52918   -53.88547
   73    72 S   HC   _H15    71     1.09390   111.52313   172.82110
   74    72 S   HC   _H16    72     1.09487   112.25734   -64.12079
   75    53 S   NP   _N5_    73     1.51228   108.32023   168.46814
   76    75 S   H    _H17    74     1.02962   109.57605    61.04618
   77    75 S   H    _H18    75     1.02939   109.57285   -54.79334
  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
   9   4   3   2   1   1  10   8   4   6   3   7   3  10  14  12
   4  15   6   6  16   9   3   1   5   4   2   1   1  12   6   5
   1   9   5   4   8   5   4   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    65  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    57    65  
   35    39    40    65  
   39    40    65  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    52    57    65  
   41    42    43    44    45    46    57    65  
   42    43    44    65  
   43    44    45    46    47    65  
   44    45    46  
   45    46    47    48    57    65    50  
   46    47    65  
   47    48    49    52    57    65    50    51    53    55  
   48    49    52    57    65    58    50    51    53    54    62    75    55    56  
   49    52    57    65    58    59    60    61    50    51    53    55  
   52    57    58    50  
   51    53    54    62    63    64    66    72    75    76    77    55    56    52    65  
   53    54    62    75    55    56  
   57    65    58    59    60    61  
   54    62    63    64    66    67    68    69    72    73    74    75    76    77    55    56  
   62    63    64    66    72    75    76    77    55  
   56    62    75  
    0  
   65    58    59    60    61  
   59    60    61    65  
   60    61  
   61  
    0  
   63    64    66    67    68    69    70    71    72    75    76    77  
   64    66    67    68    69    75  
   66    67    68    69    75  
    0  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75  
   72    73    74    75  
   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   1.9750   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  -0.353500   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.043300   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.138800   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.206000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.155400   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.167300   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.152800   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.173600   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.066100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.484900   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.197000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5500   0.0700   0.370500   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.2800   0.1700  -0.731100   1.8650   1.6500   0.001000000  -0.511443539
   58   3.2500   0.0620   0.715000   2.4950   1.7500   0.005000000  -0.741685710
   59   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   60   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   61   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5500   0.0700   0.734100   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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    65   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   469.000  1.400
   46    65   469.000  1.400
   47    48   469.000  1.400
   47    50   317.000  1.510
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    57   483.000  1.339
   52    58   317.000  1.510
   57    65   483.000  1.339
   58    59   367.000  1.332
   58    60   367.000  1.332
   58    61   367.000  1.332
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    55   320.000  1.410
   53    54   340.000  1.090
   53    62   268.000  1.529
   53    75   367.000  1.471
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    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
   55    56   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    65    70.00000  120.00000
   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    42    63.00000  120.00000
   39    65    46    63.00000  120.00000
   39    65    57    70.00000  124.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    46    63.00000  120.00000
   44    42    43    35.00000  120.00000
   44    46    47    63.00000  120.00000
   44    46    65    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    47    48    63.00000  120.00000
   46    47    50    70.00000  120.00000
   46    65    57    70.00000  124.00000
   47    48    49    35.00000  120.00000
   47    48    52    63.00000  120.00000
   47    50    51    35.00000  109.50000
   47    50    53    70.00000  112.17500
   47    50    55    90.00000  112.51600
   48    52    57    70.00000  124.00000
   48    52    58    70.00000  120.00000
   52    48    49    35.00000  120.00000
   52    57    65    70.00000  117.00000
   52    58    59    50.00000  109.50000
   52    58    60    50.00000  109.50000
   52    58    61    50.00000  109.50000
   65    39    40    63.00000  120.00000
   65    46    47    63.00000  120.00000
   58    52    57    75.00000  115.74700
   60    58    59    77.00000  109.10000
   61    58    59    77.00000  109.10000
   61    58    60    77.00000  109.10000
   50    47    48    70.00000  120.00000
   50    53    54    37.50000  110.70000
   50    53    62    58.35000  112.70000
   50    53    75    80.00000  111.20000
   50    55    56    55.00000  108.50000
   53    50    51    37.50000  110.70000
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    66    58.35000  112.70000
   53    75    72    75.00000  113.01200
   53    75    76    35.00000  109.50000
   53    75    77    35.00000  109.50000
   62    53    54    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    58.35000  112.70000
   64    62    63    33.00000  107.80000
   66    62    63    37.50000  110.70000
   66    62    64    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    80.00000  111.20000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    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    53    54    35.00000  109.50000
   75    53    62    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
   55    50    51    35.00000  109.50000
   55    50    53    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    65  -0.16000  1.0 1.0
   29    33    39    65  -0.03200 -1.0 2.0
   29    33    39    65   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    65    46   3.62500 -1.0 2.0
   33    39    65    57   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    65   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    65   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    65    46   3.62500 -1.0 2.0
   40    39    65    57   3.62500 -1.0 2.0
   40    42    44    45   3.62500 -1.0 2.0
   40    42   -44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    46    47   3.62500 -1.0 2.0
   42    44    46    65   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    46    47    48   3.62500 -1.0 2.0
   44    46    47    50   3.62500 -1.0 2.0
   44    46   -65    39   3.62500 -1.0 2.0
   44    46    65    57   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    65   3.62500 -1.0 2.0
   46    47    48    49   3.62500 -1.0 2.0
   46    47    48    52   3.62500 -1.0 2.0
   46    47    50    51   0.00000  1.0 1.0
   46    47    50    53   0.04150 -1.0 2.0
   46    47    50    55   0.14300 -1.0 2.0
   46    47    50    55   0.00300  1.0 3.0
   47    46    65    39   3.62500 -1.0 2.0
   47    46    65    57   3.62500 -1.0 2.0
   47    48   -52    57   3.62500 -1.0 2.0
   47    48    52    58   3.62500 -1.0 2.0
   47    50    53    54   0.43200  1.0 3.0
   47    50    53    62  -0.03700  1.0 1.0
   47    50    53    62   0.37200 -1.0 2.0
   47    50    53    62  -0.47300  1.0 3.0
   47    50    53    75   1.24050  1.0 1.0
   47    50    53    75   0.48100 -1.0 2.0
   47    50    53    75   1.08150  1.0 3.0
   47    50    55    56   0.31900  1.0 1.0
   47    50    55    56  -0.11800 -1.0 2.0
   47    50    55    56   0.38750  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    53   0.04150 -1.0 2.0
   48    47    50    55   0.14300 -1.0 2.0
   48    47    50    55   0.00300  1.0 3.0
   48    52    57    65   3.62500 -1.0 2.0
   48    52    58    59   0.00000  1.0 1.0
   48    52    58    60   0.00000  1.0 1.0
   48    52    58    61   0.00000  1.0 1.0
   49    48    52    57   3.62500 -1.0 2.0
   49    48    52    58   3.62500 -1.0 2.0
   52    57    65    39   3.62500 -1.0 2.0
   52    57   -65    46   3.62500 -1.0 2.0
   57    52    58    59   0.21350  1.0 3.0
   57    52    58    60   0.21350  1.0 3.0
   57    52    58    61   0.21350  1.0 3.0
   65    39    40    41   3.62500 -1.0 2.0
   65    39   -40    42   3.62500 -1.0 2.0
   65    46   -47    48   3.62500 -1.0 2.0
   65    46    47    50   3.62500 -1.0 2.0
   58    52    57    65   3.62500 -1.0 2.0
   50    47    48    49   3.62500 -1.0 2.0
   50    47    48    52   3.62500 -1.0 2.0
   50    53    62    63   0.15000  1.0 3.0
   50    53    62    64   0.15000  1.0 3.0
   50    53    62    66   0.56750  1.0 1.0
   50    53    62    66  -0.07550 -1.0 2.0
   50    53    62    66   0.20000  1.0 3.0
   50    53    75    72   0.47100  1.0 1.0
   50    53    75    76   0.17350  1.0 3.0
   50    53    75    77   0.17350  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    62   0.15000  1.0 3.0
   51    50    53    75   0.19200  1.0 3.0
   51    50    55    56   0.19450  1.0 3.0
   53    50    55    56  -0.11600  1.0 1.0
   53    50    55    56  -0.09450 -1.0 2.0
   53    50    55    56   0.21250  1.0 3.0
   53    62    66    67   0.15000  1.0 3.0
   53    62    66    68   0.15000  1.0 3.0
   53    62    66    69   0.56750  1.0 1.0
   53    62    66    69  -0.07550 -1.0 2.0
   53    62    66    69   0.20000  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    64   0.15000  1.0 3.0
   54    53    62    66   0.15000  1.0 3.0
   54    53    75    72   0.15000  1.0 3.0
   54    53    75    76   0.13050  1.0 3.0
   54    53    75    77   0.13050  1.0 3.0
   62    53    75    72   0.47100  1.0 1.0
   62    53    75    76   0.17350  1.0 3.0
   62    53    75    77   0.17350  1.0 3.0
   62    66    69    70   0.15000  1.0 3.0
   62    66    69    71   0.15000  1.0 3.0
   62    66   -69    72   0.56750  1.0 1.0
   62    66   -69    72  -0.07550 -1.0 2.0
   62    66   -69    72   0.20000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   64    62    66    67   0.15000  1.0 3.0
   64    62    66    68   0.15000  1.0 3.0
   64    62    66    69   0.15000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   1.36600  1.0 1.0
   66    69    72    75  -0.11450 -1.0 2.0
   66    69    72    75   0.24250  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72   -75    53   0.47100  1.0 1.0
   69    72    75    76   0.17350  1.0 3.0
   69    72    75    77   0.17350  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.19200  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.19200  1.0 3.0
   73    72    75    53   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    53   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    53    62    63   0.19200  1.0 3.0
   75    53    62    64   0.19200  1.0 3.0
   75    53   -62    66   1.36600  1.0 1.0
   75    53   -62    66  -0.11450 -1.0 2.0
   75    53   -62    66   0.24250  1.0 3.0
   55    50    53    54   0.23400  1.0 3.0
   55    50    53    62   0.86500  1.0 1.0
   55    50    53    62  -0.17500 -1.0 2.0
   55    50    53    62   0.20800  1.0 3.0
   55    50    53    75   1.69300  1.0 1.0
   55    50    53    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    65    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   47    65    46    44   4.00000 -1.0 2.0
   48    50    47    46   4.00000 -1.0 2.0
   52    49    48    47   1.10000 -1.0 2.0
   58    57    52    48   4.00000 -1.0 2.0
   46    57    65    39   4.00000 -1.0 2.0
END
