* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    142    212     409
    1     0 S   NP   _N1_     1    28.77633    96.21381   -19.80875
    2     1 S   H    _HN1     2     1.02778    77.64821   -64.80588
    3     1 S   H    _H1_     3     1.02964    91.26516    43.69550
    4     1 S   H    _H2_     4     1.02838    41.19803   158.49099
    5     1 S   CT   _CA1     5     1.50119   150.34012  -178.32229
    6     5 S   HC   _HA1     6     1.09572   105.24777    43.06650
    7     5 S   CO3  _C1_     7     1.53812   112.40541   -77.16215
    8     7 S   O2Z  _O11     8     1.26350   115.00739   -42.70388
    9     7 S   O2Z  _O12     9     1.26242   114.94578   136.54490
   10     5 S   CT   _CB1    10     1.53106   107.42861   161.01942
   11    10 S   HC   HB11    11     1.09814   109.37699   -50.35380
   12    10 S   HC   HB12    12     1.09826   110.39635    66.22802
   13    10 S   CT   _CG1    13     1.52978   112.64655  -171.52071
   14    13 S   HC   HG11    14     1.09526   110.31650   -61.36178
   15    13 S   HC   HG12    15     1.09636   110.14563    57.68460
   16    13 S   C    _CD1    16     1.51811   112.26393   177.76130
   17    16 S   O    _OE1    17     1.22719   123.17917   -13.72254
   18    16 S   N    _N2_    18     1.38559   111.64754   167.34583
   19    18 S   H    _HN2    19     1.01588   118.98457     0.32984
   20    18 S   CT1  _CA2    20     1.46263   123.59486  -179.38420
   21    20 S   HC   _HA2    21     1.09733   109.38825   -14.60663
   22    20 S   C    _C2_    22     1.53466   108.18918  -130.17361
   23    22 S   O    _O2_    23     1.23003   122.32988  -146.27299
   24    20 S   CT   _CB2    32     1.53405   111.16343   107.67239
   25    24 S   HC   HB21    33     1.09587   109.55556    51.77504
   26    24 S   HC   HB22    34     1.09479   110.69698   170.77082
   27    22 S   N    _N3_    24     1.38538   113.31834    41.19474
   28    27 S   H    _HN3    25     1.01529   118.88356    -0.70053
   29    24 S   S    _SG2    35     1.82860   111.59604   -69.88917
   30    27 S   CT   _CA3    26     1.45463   123.53593   175.08510
   31    30 S   HC   HA31    27     1.09517   109.31703    22.46248
   32    30 S   HC   HA32    28     1.09497   107.08668   139.48830
   33    29 S   CT   _C21    36     1.82970   100.02090   152.25868
   34    33 S   HC   _H3_    37     1.09585   109.42047   -48.93853
   35    30 S   CO3  _C3_    29     1.52931   113.12395  -101.07271
   36    35 S   O2Z  _O31    30     1.26403   115.42548   -43.34278
   37    35 S   O2Z  _O32    31     1.26358   114.96944   137.60412
   38    33 S   CO4  _C20    38     1.50784   109.13437    67.23063
   39    38 S   O    _O33    39     1.22840   122.36222   -85.23076
   40    33 S   CM   _C12    52     1.51521   109.92483  -168.43886
   41    38 S   CA   _C19    40     1.46967   117.18590    91.58408
   42    40 S   CT   _C11    53     1.53589   113.21077    80.62912
   43    42 S   HC   _H13    54     1.09660   111.71451  -163.92265
   44    42 S   HC   _H14    55     1.09267   109.13290   -49.27552
   45    41 S   CA   _C18    41     1.40373   118.60806  -159.26458
   46    45 S   HA   _H18    42     1.08695   121.04315    -1.15792
   47    42 S   CM   _C10    56     1.50591   111.29883    75.94482
   48    47 S   HC   _H12    57     1.08712   112.66567    64.08593
   49    45 S   CA   _C17    43     1.39048   120.01003   178.02533
   50    49 S   HA   _H17    44     1.08578   120.21820  -179.69036
   51    47 S   CM   _C9_    58     1.34782   128.63122  -115.57380
   52    49 S   CA   _C16    45     1.38881   119.55043    -0.03956
   53    52 S   HA   _H16    46     1.08626   120.10134  -179.79826
   54    51 S   CT   _C22    59     1.50715   123.97500    -2.93478
   55    54 S   HC   _H19    60     1.09507   110.06227   112.86611
   56    54 S   HC   _H20    61     1.09093   113.93811    -8.13494
   57    54 S   HC   _H21    62     1.09539   109.92408  -127.89535
   58    51 S   CT   _C8_    63     1.52288   122.96577   177.02060
   59    58 S   HC   _H10    64     1.09791   107.57720   101.46132
   60    58 S   HC   _H11    65     1.09908   108.23937  -144.41466
   61    52 S   CA   _C15    47     1.39906   120.07856     0.48578
   62    61 S   HA   _H15    48     1.08850   117.28222   179.61235
   63    58 S   CT   _C7_    66     1.53988   118.66351   -21.84252
   64    63 S   HC   _H8_    67     1.09252   110.10164    61.87204
   65    63 S   HC   _H9_    68     1.09774   107.80547   176.60748
   66    41 S   CA   _C14    49     1.40118   119.38915    19.53725
   67    63 S   CM   _C6_    69     1.50651   112.59590   -65.43898
   68    67 S   HC   _H7_    70     1.08987   113.93178   -53.99145
   69    66 S   CMA  _C13    50     1.51657   122.73026     4.64309
   70    69 S   OM   _O34    51     1.26892   119.07636   164.29332
   71    67 S   CM   _C5_    71     1.34711   128.40764   126.53658
   72    71 S   CT   _C4_    72     1.50621   120.33786  -179.74666
   73    72 S   HC   _H4_    73     1.09444   110.29068   123.53427
   74    72 S   HC   _H5_    74     1.09502   112.47398     3.43142
   75    72 S   HC   _H6_    75     1.09493   110.18584  -116.83262
   76    71 S   CT   _C23    76     1.50261   125.63462     0.37009
   77    76 S   HC   _H22    77     1.09529   110.00212   123.17463
   78    76 S   HC   _H23    78     1.09493   110.03551  -117.66628
   79    76 S   HC   _H24    79     1.09133   113.75628     3.10646
  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   8   5   4   3
  13   6   2   1   1  10   4  11  10  10   5   4   8   4  11   3
   6   3  11   5   3   7   3   2   1   8   5   4   4   2   7   4
   3   2  10   3   1   1   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    69    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    45    66    69    70    40    42    43    44    47  
   38    39    41    69    40    42  
   36    37  
   37  
    0  
   39    41    45    46    49    61    66    69    40    42  
   41    45    66    40  
   42    43    44    47    48    51    41    61    66    69    70  
   45    46    49    50    52    61    62    66    69    70  
   43    44    47    48    51    54    58    66    69    70  
   44    47    48    51    69  
   47    48    51    69  
   46    49    50    52    53    61    66    69  
   49    50    52    66  
   48    51    54    55    56    57    58    59    60    63    69  
   51    54    58  
   50    52    53    61    62    66  
   52    53    61  
   54    55    56    57    58    59    60    63    64    65    67  
   53    61    62    66    69  
   61    62    66  
   55    56    57    58    59    60    63  
   56    57    58  
   57    58  
   58  
   59    60    63    64    65    67    68    71  
   60    63    64    65    67  
   63    64    65    67  
   62    66    69    70  
   66    69  
   64    65    67    68    71    72    76  
   65    67    68    71  
   67    68    71  
   69    70  
   68    71    72    73    74    75    76    77    78    79  
   71    72    76  
   70  
    0  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    40   317.000  1.510
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    45   469.000  1.400
   41    66   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   52    61   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    69   320.000  1.460
   69    70   745.000  1.250
   69    40   465.000  1.376
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.510
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    54   317.000  1.510
   51    58   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   317.000  1.510
   67    68   340.000  1.080
   67    71   549.000  1.340
   71    72   317.000  1.510
   71    76   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    40    69    70.00000  124.00000
   33    40    42    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    45    60.00000  119.52600
   38    41    66    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   41    66    61    63.00000  120.00000
   41    66    69    60.00000  120.93500
   45    49    50    35.00000  120.00000
   45    49    52    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    61    63.00000  120.00000
   52    49    50    35.00000  120.00000
   52    61    62    35.00000  120.00000
   52    61    66    63.00000  120.00000
   61    52    53    35.00000  120.00000
   61    66    69    60.00000  120.93500
   66    41    45    63.00000  120.00000
   66    61    62    35.00000  120.00000
   66    69    70    85.00000  114.86500
   66    69    40    60.00000  123.20500
   69    40    42    70.00000  124.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   40    69    70    65.00000  137.10300
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    47    70.00000  110.12100
   42    47    48    35.00000  117.00000
   42    47    51    70.00000  124.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    51    54    70.00000  124.00000
   47    51    58    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    63    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    51    54    65.00000  117.92700
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    67    70.00000  112.02700
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    67    68    35.00000  117.00000
   63    67    71    70.00000  124.00000
   65    63    64    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   67    71    72    70.00000  124.00000
   67    71    76    70.00000  124.00000
   71    67    68    35.00000  120.00000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    35.00000  109.50000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    71    72    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    40    69   0.42700  1.0 1.0
   29    33    40    69  -0.70350 -1.0 2.0
   29    33    40    69  -0.43150  1.0 3.0
   29    33    40    42   0.30250  1.0 1.0
   29    33    40    42  -0.14950 -1.0 2.0
   29    33    40    42   0.36900  1.0 3.0
   33    38    41    45   2.26350  1.0 1.0
   33    38    41    45   0.76750 -1.0 2.0
   33    38    41    45   0.22500  1.0 3.0
   33    38    41    66   2.26350  1.0 1.0
   33    38    41    66   0.76750 -1.0 2.0
   33    38    41    66   0.22500  1.0 3.0
   33    40    42    43   0.34800  1.0 3.0
   33    40    42    44   0.34800  1.0 3.0
   33    40    42    47   0.09700  1.0 1.0
   33    40    42    47   0.15600 -1.0 2.0
   33    40    42    47  -0.50800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    69   0.00000  1.0 1.0
   34    33    40    42   0.34800  1.0 3.0
   38    33    40    69  -0.51250  1.0 1.0
   38    33    40    69  -0.88800 -1.0 2.0
   38    33    40    69   0.08850  1.0 3.0
   38    33    40    42   0.17250  1.0 1.0
   38    33    40    42  -0.04100 -1.0 2.0
   38    33    40    42  -0.33850  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    49   3.62500 -1.0 2.0
   38    41    66    61   3.62500 -1.0 2.0
   38    41   -66    69   3.62500 -1.0 2.0
   39    38    41    45   1.05000 -1.0 2.0
   39    38    41    66   1.05000 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   41    45    49    52   3.62500 -1.0 2.0
   41    66    69    70  -0.01750  1.0 1.0
   41    66    69    70  -0.32000 -1.0 2.0
   41    66    69    70   0.00600  1.0 3.0
   41    66    69    40   0.15800  1.0 1.0
   41    66    69    40   1.85350 -1.0 2.0
   41    66    69    40  -0.48700  1.0 3.0
   45    41    66    61   3.62500 -1.0 2.0
   45    41    66    69   3.62500 -1.0 2.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49   -52    61   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    52   3.62500 -1.0 2.0
   49    52    61    62   3.62500 -1.0 2.0
   49    52    61    66   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   50    49    52    61   3.62500 -1.0 2.0
   52    61   -66    41   3.62500 -1.0 2.0
   52    61    66    69   3.62500 -1.0 2.0
   53    52    61    62   3.62500 -1.0 2.0
   53    52    61    66   3.62500 -1.0 2.0
   61    66    69    70  -0.01750  1.0 1.0
   61    66    69    70  -0.32000 -1.0 2.0
   61    66    69    70   0.00600  1.0 3.0
   61    66    69    40   0.15800  1.0 1.0
   61    66    69    40   1.85350 -1.0 2.0
   61    66    69    40  -0.48700  1.0 3.0
   62    61    66    41   3.62500 -1.0 2.0
   62    61    66    69   3.62500 -1.0 2.0
   66    41    45    46   3.62500 -1.0 2.0
   66    41   -45    49   3.62500 -1.0 2.0
   66    69   -40    33   7.00000 -1.0 2.0
   66    69    40    42   7.00000 -1.0 2.0
   69    40    42    43   0.00000  1.0 1.0
   69    40    42    44   0.00000  1.0 1.0
   69    40    42    47  -0.28300  1.0 1.0
   69    40    42    47   0.26700 -1.0 2.0
   69    40    42    47  -0.63300  1.0 3.0
   70    69    40    33   7.00000 -1.0 2.0
   70    69    40    42   7.00000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    41   0.65300  1.0 1.0
   40    33   -38    41  -0.03850 -1.0 2.0
   40    33   -38    41   0.33900  1.0 3.0
   40    42    47    48   0.00000  1.0 1.0
   40    42    47    51  -0.28300  1.0 1.0
   40    42    47    51   0.26700 -1.0 2.0
   40    42    47    51  -0.63300  1.0 3.0
   42    47    51    54   7.00000 -1.0 2.0
   42    47    51    58   7.00000 -1.0 2.0
   43    42    47    48   0.33100  1.0 3.0
   43    42    47    51   0.00000  1.0 1.0
   44    42    47    48   0.33100  1.0 3.0
   44    42    47    51   0.00000  1.0 1.0
   47    51    54    55   0.00000  1.0 1.0
   47    51    54    56   0.00000  1.0 1.0
   47    51    54    57   0.00000  1.0 1.0
   47    51    58    59   0.00000  1.0 1.0
   47    51    58    60   0.00000  1.0 1.0
   47    51    58    63   0.09850  1.0 1.0
   47    51    58    63   0.15250 -1.0 2.0
   47    51    58    63  -0.50650  1.0 3.0
   48    47    51    54   7.00000 -1.0 2.0
   48    47    51    58   7.00000 -1.0 2.0
   51    58    63    64   0.15000  1.0 3.0
   51    58    63    65   0.15000  1.0 3.0
   51    58    63    67   0.31000  1.0 1.0
   51    58    63    67   0.14700 -1.0 2.0
   51    58    63    67   0.07550  1.0 3.0
   54    51    58    59   0.34800  1.0 3.0
   54    51    58    60   0.34800  1.0 3.0
   54    51    58    63   0.46850  1.0 1.0
   54    51    58    63   0.08550 -1.0 2.0
   54    51    58    63   0.09800  1.0 3.0
   58    51    54    55   0.34800  1.0 3.0
   58    51    54    56   0.34800  1.0 3.0
   58    51    54    57   0.34800  1.0 3.0
   58    63    67    68   0.00000  1.0 1.0
   58    63    67    71   0.09850  1.0 1.0
   58    63    67    71   0.15250 -1.0 2.0
   58    63    67    71  -0.50650  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    67   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    67   0.15000  1.0 3.0
   63    67    71    72   7.00000 -1.0 2.0
   63    67    71    76   7.00000 -1.0 2.0
   64    63    67    68   0.33100  1.0 3.0
   64    63    67    71   0.00000  1.0 1.0
   65    63    67    68   0.33100  1.0 3.0
   65    63    67    71   0.00000  1.0 1.0
   67    71    72    73   0.00000  1.0 1.0
   67    71    72    74   0.00000  1.0 1.0
   67    71    72    75   0.00000  1.0 1.0
   67    71    76    77   0.00000  1.0 1.0
   67    71    76    78   0.00000  1.0 1.0
   67    71    76    79   0.00000  1.0 1.0
   68    67    71    72   7.00000 -1.0 2.0
   68    67    71    76   7.00000 -1.0 2.0
   72    71    76    77   0.34800  1.0 3.0
   72    71    76    78   0.34800  1.0 3.0
   72    71    76    79   0.34800  1.0 3.0
   76    71    72    73   0.34800  1.0 3.0
   76    71    72    74   0.34800  1.0 3.0
   76    71    72    75   0.34800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   45    66    41    38   4.00000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   52    50    49    45   1.10000 -1.0 2.0
   61    53    52    49   1.10000 -1.0 2.0
   66    62    61    52   1.10000 -1.0 2.0
   61    69    66    41   4.00000 -1.0 2.0
   66    70    69    40   1.10000 -1.0 2.0
   33    42    40    69   1.10000 -1.0 2.0
   42    48    47    51  15.00000 -1.0 2.0
   54    58    51    47  15.00000 -1.0 2.0
   63    68    67    71  15.00000 -1.0 2.0
   72    76    71    67  15.00000 -1.0 2.0
END
