* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    143    217     422
    1     0 S   NP   _N1_     1    28.74235    97.21184   -21.36668
    2     1 S   H    _HN1     2     1.02778    85.87257   -73.54377
    3     1 S   H    _H1_     3     1.02960    72.44066    37.15147
    4     1 S   H    _H2_     4     1.02837    50.04953   168.92148
    5     1 S   CT   _CA1     5     1.50110   158.41179   138.31971
    6     5 S   HC   _HA1     6     1.09575   105.24581    83.83009
    7     5 S   CO3  _C1_     7     1.53788   112.38700   -36.40667
    8     7 S   O2Z  _O11     8     1.26358   115.00830   -44.29710
    9     7 S   O2Z  _O12     9     1.26239   114.91723   134.93924
   10     5 S   CT   _CB1    10     1.53100   107.43453  -158.25738
   11    10 S   HC   HB11    11     1.09824   109.34388   -50.97478
   12    10 S   HC   HB12    12     1.09819   110.40861    65.57138
   13    10 S   CT   _CG1    13     1.53010   112.66980  -172.08723
   14    13 S   HC   HG11    14     1.09596   110.43408   -63.41802
   15    13 S   HC   HG12    15     1.09652   109.99457    55.79849
   16    13 S   C    _CD1    16     1.51817   112.32954   176.15998
   17    16 S   O    _OE1    17     1.22720   123.26209    -2.70298
   18    16 S   N    _N2_    18     1.38629   111.63022   177.51092
   19    18 S   H    _HN2    19     1.01583   119.01699     1.39718
   20    18 S   CT1  _CA2    20     1.46165   123.39210  -179.96044
   21    20 S   HC   _HA2    21     1.09734   109.41875    -7.18502
   22    20 S   C    _C2_    22     1.53498   108.32595  -122.76538
   23    22 S   O    _O2_    23     1.23031   122.36589  -144.78845
   24    20 S   CT   _CB2    32     1.53400   111.56686   114.83250
   25    24 S   HC   HB21    33     1.09591   110.08770    55.60352
   26    24 S   HC   HB22    34     1.09461   109.64016   174.57234
   27    22 S   N    _N3_    24     1.38519   113.49722    42.57352
   28    27 S   H    _HN3    25     1.01504   119.07103    -0.36208
   29    24 S   S    _SG2    35     1.83063   111.90083   -65.50444
   30    27 S   CT   _CA3    26     1.45405   123.06300   175.47234
   31    30 S   HC   HA31    27     1.09547   109.00691    30.89793
   32    30 S   HC   HA32    28     1.09497   107.25905   147.78901
   33    29 S   CT   _C17    36     1.84292    99.91342   172.55218
   34    33 S   HC   _H8_    37     1.09747   106.23576   -56.32513
   35    30 S   CO3  _C3_    29     1.52880   112.93164   -92.37524
   36    35 S   O2Z  _O31    30     1.26412   115.22229   -52.33645
   37    35 S   O2Z  _O32    31     1.26339   115.09035   128.49886
   38    33 S   CA   _C7_    38     1.51856   111.62731    62.79856
   39    33 S   CT   _C18    75     1.53557   108.49891  -171.75447
   40    39 S   HC   _H21    76     1.09584   112.55730   -66.33902
   41    39 S   HC   _H22    77     1.09691   110.70694    54.35808
   42    38 S   CA   _C8_    39     1.40117   119.29423  -112.61542
   43    42 S   HA   _H13    40     1.08751   120.53040    -2.00291
   44    39 S   CO4  _C19    78     1.50880   110.79112   171.97649
   45    44 S   O    _O40    79     1.22692   123.29461   127.94387
   46    44 S   HC   _H23    80     1.10362   115.88261   -54.62750
   47    42 S   CA   _C9_    41     1.39388   120.71474   176.81980
   48    47 S   HA   _H14    42     1.08549   118.37311  -179.77015
   49    47 S   CA   _C10    43     1.39745   120.14611    -0.56441
   50    49 S   CA   _C5_    44     1.40345   120.07652     3.08445
   51    49 S   OS   _O34    52     1.37482   122.82752  -177.65765
   52    38 S   CA   _C6_    45     1.40647   121.99060    65.97995
   53    52 S   HA   _H12    46     1.08592   118.37988     1.71292
   54    50 S   OS   _O33    47     1.37236   115.88628   178.20234
   55    51 S   CO   _C11    53     1.43980   115.06277    40.49539
   56    55 S   HC   _H3_    54     1.09819   108.23364   -75.92530
   57    54 S   CT   _C4_    48     1.42193   117.30828   179.97202
   58    57 S   HC   _H9_    49     1.09429   107.73893   179.07233
   59    57 S   HC   _H10    50     1.09500   111.18863    61.33502
   60    57 S   HC   _H11    51     1.09495   111.10673   -63.25037
   61    55 S   CT   _C12    55     1.53638   108.05877   166.65423
   62    61 S   HC   _H4_    56     1.09574   110.68707    58.11227
   63    61 S   CT   _C13    57     1.53228   109.61156  -179.25035
   64    63 S   HC   _H5_    58     1.09743   108.19598   -68.30036
   65    61 S   OH   _O39    73     1.43067   109.34760   -58.45201
   66    65 S   HO   _H20    74     0.97298   106.86141  -172.62467
   67    63 S   CT   _C14    59     1.53538   112.20207    51.66879
   68    67 S   HC   _H6_    60     1.09582   109.93290  -172.74810
   69    63 S   OH   _O38    71     1.42491   109.65478   174.85833
   70    69 S   HO   _H19    72     0.97290   107.52504   175.01508
   71    67 S   CT   _C15    61     1.53458   109.76160   -51.02432
   72    71 S   HC   _H7_    62     1.09796   110.21648   -63.99987
   73    67 S   OH   _O37    69     1.42776   110.52877    69.99546
   74    73 S   HO   _H18    70     0.97272   107.39003    46.12729
   75    55 S   OS   _O35    63     1.43377   112.90332    45.56993
   76    71 S   CT   _C16    64     1.52805   112.78893   173.78498
   77    76 S   HC   _H15    65     1.09395   111.38460    49.72042
   78    76 S   HC   _H16    66     1.09506   111.37760   -73.15917
   79    76 S   OH   _O36    67     1.42612   108.46309   168.34649
   80    79 S   HO   _H17    68     0.97435   107.34211   166.33464
  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   9   5   4   3
  14   7   2   1   1  13   7   4   3   8   4   2   1   1   7   3
  10   9  10   3   1   4  13   6   3   2   1   1  12   7  13   7
   4   1  12   7   3   1   9   6   3   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    52    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    50    52    53    39    40    41    44    45    46  
   38    42    52    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    50    52    53    54    39    40    41    44  
   40    41    44    45    46    42    52  
   41    44    45    46  
   44    45    46  
   43    47    48    49    50    52    53    51  
   47    48    49    52  
   45    46  
   46  
    0  
   48    49    50    52    54    51    55  
   49    50    51  
   50    52    53    54    57    51    55    56    61    75  
   52    53    54    57    58    59    60    51    55  
   55    56    61    62    63    71    75    65    52    54  
   53    54    57  
   54  
   57    58    59    60  
   56    61    62    63    64    67    71    72    75    76    69    65    66  
   61    62    63    71    75    65  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    67    68    71    75    73    69    70    65    66  
   63    64    67    75    69    65    66  
   64    67    68    71    72    75    76    73    74    69    70    65    66  
   67    68    71    73    69    70    65  
   66    67    69    75  
    0  
   68    71    72    75    76    77    78    79    73    74    69    70  
   71    72    75    76    73    74    69  
   70    71    73  
    0  
   72    75    76    77    78    79    80    73    74  
   75    76    77    78    79    73  
   74    75    76  
    0  
   76    77    78    79  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    52   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    51   450.000  1.364
   50    52   469.000  1.400
   50    54   450.000  1.364
   52    53   367.000  1.080
   54    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   51    55   320.000  1.380
   55    56   340.000  1.090
   55    61   250.000  1.527
   55    75   320.000  1.380
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   320.000  1.410
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   320.000  1.410
   71    72   340.000  1.090
   71    75   320.000  1.410
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   320.000  1.410
   79    80   553.000  0.945
   73    74   553.000  0.945
   69    70   553.000  0.945
   65    66   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    52    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    47    63.00000  120.00000
   38    52    50    63.00000  120.00000
   38    52    53    35.00000  120.00000
   42    47    48    35.00000  120.00000
   42    47    49    63.00000  120.00000
   47    42    43    35.00000  120.00000
   47    49    50    63.00000  120.00000
   47    49    51    70.00000  120.00000
   49    47    48    35.00000  120.00000
   49    50    52    63.00000  120.00000
   49    50    54    70.00000  120.00000
   49    51    55   100.00000  112.36700
   50    52    53    35.00000  120.00000
   50    54    57    75.00000  111.00000
   52    38    42    63.00000  120.00000
   54    50    52    70.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   51    49    50    70.00000  120.00000
   51    55    56    35.00000  109.50000
   51    55    61    90.00000  108.56700
   51    55    75    92.60000  111.55000
   55    61    62    45.00000  108.72000
   55    61    63    75.00000  109.43000
   55    61    65    90.00000  111.58700
   55    75    71    60.00000  109.50000
   61    55    56    45.00000  112.01100
   61    63    64    37.50000  110.70000
   61    63    67    58.35000  112.70000
   61    63    69    50.00000  109.50000
   61    65    66    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    73    50.00000  109.50000
   63    69    70    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    50.00000  109.50000
   67    71    76    58.35000  112.70000
   67    73    74    55.00000  108.50000
   71    67    68    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    50.00000  109.50000
   75    55    56    35.00000  109.50000
   75    55    61    90.00000  108.56700
   75    71    72    35.00000  109.50000
   76    71    72    37.50000  110.70000
   76    71    75    50.00000  109.50000
   76    79    80    55.00000  108.50000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   73    67    68    35.00000  109.50000
   73    67    71    50.00000  109.50000
   69    63    64    35.00000  109.50000
   69    63    67    50.00000  109.50000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    46    35.00000  115.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   46    44    45    35.00000  123.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    52  -0.16000  1.0 1.0
   29    33    38    52  -0.03200 -1.0 2.0
   29    33    38    52   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    52    50   3.62500 -1.0 2.0
   33    38    52    53   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    46   0.74550  1.0 1.0
   33    39    44    46  -0.00500 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    52   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   42    38    52    50   3.62500 -1.0 2.0
   42    38    52    53   3.62500 -1.0 2.0
   42    47   -49    50   3.62500 -1.0 2.0
   42    47    49    51   3.62500 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   43    42    47    49   3.62500 -1.0 2.0
   47    49    50    52   3.62500 -1.0 2.0
   47    49    50    54   3.62500 -1.0 2.0
   47    49    51    55   1.63200 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    50   -52    38   3.62500 -1.0 2.0
   49    50    52    53   3.62500 -1.0 2.0
   49    50    54    57   1.63200 -1.0 2.0
   49    51    55    56   0.08050  1.0 3.0
   49    51    55    61  -0.32850  1.0 1.0
   49    51    55    61  -0.35800 -1.0 2.0
   49    51    55    61   0.33950  1.0 3.0
   49    51    55    75  -0.25600  1.0 1.0
   49    51    55    75  -0.40050 -1.0 2.0
   49    51    55    75   0.34700  1.0 3.0
   50    49    51    55   1.63200 -1.0 2.0
   50    54    57    58   0.08050  1.0 3.0
   50    54    57    59   0.08050  1.0 3.0
   50    54    57    60   0.08050  1.0 3.0
   52    38    42    43   3.62500 -1.0 2.0
   52    38   -42    47   3.62500 -1.0 2.0
   52    50    54    57   1.63200 -1.0 2.0
   54    50    52    38   3.62500 -1.0 2.0
   54    50    52    53   3.62500 -1.0 2.0
   51    49    50    52   3.62500 -1.0 2.0
   51    49    50    54   3.62500 -1.0 2.0
   51    55    61    62   0.23400  1.0 3.0
   51    55    61    63   0.62750  1.0 1.0
   51    55    61    63  -0.30950 -1.0 2.0
   51    55    61    63   0.27300  1.0 3.0
   51    55    61    65   3.69350  1.0 1.0
   51    55    61    65  -1.82950 -1.0 2.0
   51    55    75    71  -0.81800  1.0 1.0
   55    61    63    64   0.15000  1.0 3.0
   55    61    63    67   3.97050  1.0 1.0
   55    61    63    69   0.86500  1.0 1.0
   55    61    63    69  -0.17500 -1.0 2.0
   55    61    63    69   0.20800  1.0 3.0
   55    61    65    66  -0.11600  1.0 1.0
   55    61    65    66  -0.09450 -1.0 2.0
   55    61    65    66   0.21250  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    65   0.23400  1.0 3.0
   56    55    75    71   0.37050  1.0 3.0
   61    55    75    71   0.06250  1.0 1.0
   61    55    75    71  -0.01100 -1.0 2.0
   61    55    75    71   0.28050  1.0 3.0
   61    63    67    68   0.15000  1.0 3.0
   61    63   -67    71   0.56750  1.0 1.0
   61    63   -67    71  -0.07550 -1.0 2.0
   61    63   -67    71   0.20000  1.0 3.0
   61    63    67    73   0.86500  1.0 1.0
   61    63    67    73  -0.17500 -1.0 2.0
   61    63    67    73   0.20800  1.0 3.0
   61    63    69    70  -0.11600  1.0 1.0
   61    63    69    70  -0.09450 -1.0 2.0
   61    63    69    70   0.21250  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    63    69   0.23400  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   63    61    65    66  -0.11600  1.0 1.0
   63    61    65    66  -0.09450 -1.0 2.0
   63    61    65    66   0.21250  1.0 3.0
   63    67    71    72   0.15000  1.0 3.0
   63    67    71    75   0.62750  1.0 1.0
   63    67    71    75  -0.30950 -1.0 2.0
   63    67    71    75   0.27300  1.0 3.0
   63    67    71    76   0.56750  1.0 1.0
   63    67    71    76  -0.07550 -1.0 2.0
   63    67    71    76   0.20000  1.0 3.0
   63    67    73    74  -0.11600  1.0 1.0
   63    67    73    74  -0.09450 -1.0 2.0
   63    67    73    74   0.21250  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.15000  1.0 3.0
   64    63    67    73   0.23400  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   67    63    69    70  -0.11600  1.0 1.0
   67    63    69    70  -0.09450 -1.0 2.0
   67    63    69    70   0.21250  1.0 3.0
   67    71   -75    55   0.06250  1.0 1.0
   67    71   -75    55  -0.01100 -1.0 2.0
   67    71   -75    55   0.28050  1.0 3.0
   67    71    76    77   0.15000  1.0 3.0
   67    71    76    78   0.15000  1.0 3.0
   67    71    76    79   0.86500  1.0 1.0
   67    71    76    79  -0.17500 -1.0 2.0
   67    71    76    79   0.20800  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.23400  1.0 3.0
   68    67    71    76   0.15000  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74  -0.11600  1.0 1.0
   71    67    73    74  -0.09450 -1.0 2.0
   71    67    73    74   0.21250  1.0 3.0
   71    76    79    80  -0.11600  1.0 1.0
   71    76    79    80  -0.09450 -1.0 2.0
   71    76    79    80   0.21250  1.0 3.0
   72    71    75    55   0.37050  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.23400  1.0 3.0
   75    55    61    62   0.23400  1.0 3.0
   75    55   -61    63   0.62750  1.0 1.0
   75    55   -61    63  -0.30950 -1.0 2.0
   75    55   -61    63   0.27300  1.0 3.0
   75    55    61    65   3.69350  1.0 1.0
   75    55    61    65  -1.82950 -1.0 2.0
   75    71    76    77   0.23400  1.0 3.0
   75    71    76    78   0.23400  1.0 3.0
   75    71    76    79   3.69350  1.0 1.0
   75    71    76    79  -1.82950 -1.0 2.0
   76    71    75    55   0.06250  1.0 1.0
   76    71    75    55  -0.01100 -1.0 2.0
   76    71    75    55   0.28050  1.0 3.0
   77    76    79    80   0.19450  1.0 3.0
   78    76    79    80   0.19450  1.0 3.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75   3.69350  1.0 1.0
   73    67    71    75  -1.82950 -1.0 2.0
   73    67    71    76   0.86500  1.0 1.0
   73    67    71    76  -0.17500 -1.0 2.0
   73    67    71    76   0.20800  1.0 3.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    71   0.86500  1.0 1.0
   69    63    67    71  -0.17500 -1.0 2.0
   69    63    67    71   0.20800  1.0 3.0
   69    63    67    73   3.75450  1.0 1.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    67   0.86500  1.0 1.0
   65    61    63    67  -0.17500 -1.0 2.0
   65    61    63    67   0.20800  1.0 3.0
   65    61    63    69   3.75450  1.0 1.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    52   0.04150 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    52    38    33   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   49    48    47    42   1.10000 -1.0 2.0
   50    51    49    47   4.00000 -1.0 2.0
   52    54    50    49   4.00000 -1.0 2.0
   50    53    52    38   1.10000 -1.0 2.0
   39    46    44    45  10.50000 -1.0 2.0
END
