* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    160    237     466
    1     0 S   NP   _N1_     1    28.71071    96.59937   -24.83207
    2     1 S   H    _HN1     2     1.02828    41.29919  -174.82350
    3     1 S   H    _H1_     3     1.02788   113.69521   -84.31888
    4     1 S   H    _H2_     4     1.02948    66.46565    16.30423
    5     1 S   CT   _CA1     5     1.50123   132.18588   113.09270
    6     5 S   HC   _HA1     6     1.09574   105.17371   101.43787
    7     5 S   CO3  _C1_     7     1.53777   112.48070   -18.76522
    8     7 S   O2Z  _O11     8     1.26373   115.00262   -42.08891
    9     7 S   O2Z  _O12     9     1.26241   114.94260   136.98563
   10     5 S   CT   _CB1    10     1.53072   107.41038  -140.59464
   11    10 S   HC   HB11    11     1.09836   109.32770   -49.65165
   12    10 S   HC   HB12    12     1.09811   110.46715    66.94486
   13    10 S   CT   _CG1    13     1.53002   112.63158  -170.62084
   14    13 S   HC   HG11    14     1.09576   110.66894   -66.79347
   15    13 S   HC   HG12    15     1.09672   109.74383    52.44370
   16    13 S   C    _CD1    16     1.51810   112.14250   172.88528
   17    16 S   O    _OE1    17     1.22740   123.25281     9.28569
   18    16 S   N    _N2_    18     1.38665   111.73538  -170.75186
   19    18 S   H    _HN2    19     1.01577   118.93765     1.41734
   20    18 S   CT1  _CA2    20     1.46168   123.35126   176.70830
   21    20 S   HC   _HA2    21     1.09747   109.32101     4.70927
   22    20 S   C    _C2_    22     1.53595   108.82059  -110.71159
   23    22 S   O    _O2_    23     1.23071   122.23226  -148.71213
   24    20 S   CT   _CB2    32     1.53249   111.66414   126.68764
   25    24 S   HC   HB21    33     1.09587   110.48086    55.68040
   26    24 S   HC   HB22    34     1.09477   110.06913   174.78323
   27    22 S   N    _N3_    24     1.38306   113.78623    38.79980
   28    27 S   H    _HN3    25     1.01568   119.60745    -3.31783
   29    24 S   S    _SG2    35     1.82555   111.67670   -65.28200
   30    27 S   CT   _CA3    26     1.45283   123.24924   177.10038
   31    30 S   HC   HA31    27     1.09549   107.51942   -64.43260
   32    30 S   HC   HA32    28     1.09556   107.98312    52.01666
   33    29 S   CT   _C23    36     1.82764    98.60739  -173.70714
   34    33 S   HC   _H3_    37     1.09542   108.31959   -58.23968
   35    33 S   HC   _H4_    38     1.09008   106.11845    57.75268
   36    30 S   CO3  _C3_    29     1.52969   114.05145   174.00485
   37    36 S   O2Z  _O31    30     1.26380   116.06538    -0.66969
   38    36 S   O2Z  _O32    31     1.26425   114.41524   179.38643
   39    33 S   CT   _C16    39     1.53624   111.00367   179.32711
   40    39 S   HC   _H36    40     1.09648   112.17674   -41.65298
   41    39 S   CO4  _C8_    41     1.50461   108.74339    79.89886
   42    41 S   O    _O21    42     1.22086   126.04580   -81.44235
   43    41 S   OS   _O23    43     1.36176   109.60961    95.88865
   44    43 S   CT   _C14    44     1.44775   111.21196     7.60581
   45    44 S   HC   _H34    45     1.09103   106.74609  -101.51059
   46    44 S   CM   _C5_    46     1.50743   104.29369   138.27194
   47    46 S   HC   _H28    47     1.09096   113.04895   -59.25788
   48    39 S   CT   _C17    62     1.55038   116.10135  -167.29447
   49    48 S   HC   _H37    63     1.10133   105.85781   163.09030
   50    46 S   CM   _C7_    48     1.35268   130.02879   118.91062
   51    50 S   CT   _C15    49     1.52577   127.28689     3.13157
   52    51 S   HC   _H35    50     1.09717   108.57921  -153.50266
   53    50 S   CT   _C20    84     1.51060   119.15507  -178.99907
   54    53 S   HC   _H42    85     1.09499   110.12153   118.35945
   55    53 S   HC   _H43    86     1.09506   112.58906    -1.70077
   56    53 S   HC   _H44    87     1.09472   110.42532  -121.82124
   57    51 S   CT   _C12    51     1.54695   113.03627    86.45533
   58    57 S   HC   _H30    52     1.09670   110.10156  -171.55810
   59    57 S   HC   _H31    53     1.09330   109.86442    71.45039
   60    51 S   OH   _O24    82     1.42555   111.20590   -38.42665
   61    60 S   HO   _H53    83     0.97221   107.59286  -175.88696
   62    57 S   CM   _C4_    54     1.50423   110.20900   -52.41203
   63    62 S   HC   _H27    55     1.08710   113.30469   -76.43460
   64    62 S   CM   _C6_    56     1.34743   126.45523    93.02143
   65    64 S   CT   _C13    57     1.51090   121.71343  -161.53619
   66    65 S   HC   _H32    58     1.09942   109.00251   150.80398
   67    65 S   HC   _H33    59     1.09814   107.47802   -96.52010
   68    64 S   CT   _C19    78     1.50677   124.63019    13.67378
   69    68 S   HC   _H39    79     1.09565   109.71982   129.18348
   70    68 S   HC   _H40    80     1.09147   113.74021     9.85590
   71    68 S   HC   _H41    81     1.09488   110.39007  -111.63739
   72    65 S   CT   _C18    60     1.54564   118.62409    28.56353
   73    72 S   HC   _H38    61     1.09520   110.51671   -56.56406
   74    72 S   OS   _O25    64     1.45952   105.56281  -173.91949
   75    74 S   CO4  _C11    65     1.35902   117.86784    87.33993
   76    75 S   O    _O22    66     1.22080   127.01074    -2.53003
   77    75 S   CM   _C10    67     1.48283   108.38562   177.01640
   78    77 S   CM   _C9_    68     1.34457   120.37301  -129.48468
   79    78 S   HC   _H29    69     1.08922   117.79915  -178.44279
   80    77 S   CT   _C22    74     1.49907   116.79430    52.02385
   81    80 S   HC   _H48    75     1.09480   110.70105   -69.63109
   82    80 S   HC   _H49    76     1.09512   110.39946    50.55040
   83    80 S   HC   _H50    77     1.09520   111.93566   170.21439
   84    78 S   CT   _C21    70     1.49598   128.22916     3.16879
   85    84 S   HC   _H45    71     1.09412   109.85419  -114.01556
   86    84 S   HC   _H46    72     1.09497   109.43759   127.44216
   87    84 S   HC   _H47    73     1.09201   113.61212     7.62921
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  12  13   7   5   2   1   1   9   5   4   2   1  10   3  10
  10   5   4   4   2   1   1   5   2   5   9   3  10   9   5   4
   2   1   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    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    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    72    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    72    73    48    49    74  
   41    42    43    44    72    48    49  
   42    43    44    45    46    72    48    49  
   43    44    48  
   44    45    46    47    50    72    48    49  
   45    46    47    50    51    65    72    73    48    49    74    53  
   46    47    50    72    48    49  
   47    50    51    52    57    72    48    49    60    53    54    55    56  
   50    51    48    53  
   49    74    75    50    64    65    66    67    72    73  
   74    65    72    73  
   51    52    57    58    59    62    60    61    53    54    55    56  
   52    57    58    59    62    63    64    60    61    53    54    55    56  
   57    58    59    62    60    61    53  
   54    55    56    57    60  
   55    56  
   56  
    0  
   58    59    62    63    64    65    68    60    61  
   59    62    63    64    60  
   62    63    64    60  
   61    62  
    0  
   63    64    65    66    67    72    68    69    70    71  
   64    65    68  
   65    66    67    72    73    74    68    69    70    71  
   66    67    72    73    74    75    68    69    70    71  
   67    72    73    74    68  
   72    73    74    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75  
   75    76    77    78    80  
   76    77    78    79    84    80    81    82    83  
   77    78    80  
   78    79    84    85    86    87    80    81    82    83  
   79    84    85    86    87    80    81    82    83  
   84    85    86    87    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   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    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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   317.000  1.510
   64    68   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    48   268.000  1.529
   72    74   320.000  1.410
   48    49   340.000  1.090
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   60    61   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    72    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    72    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    51    60    90.00000  110.39200
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    62    70.00000  112.02700
   51    60    61    55.00000  108.50000
   57    51    52    37.50000  110.70000
   57    62    63    35.00000  117.00000
   57    62    64    70.00000  124.00000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    64    65    70.00000  124.00000
   62    64    68    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    72    70.00000  112.02700
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   65    72    73    37.50000  110.70000
   65    72    48    58.35000  112.70000
   65    72    74    50.00000  109.50000
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    48    49    37.50000  110.70000
   72    74    75    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    72    73    37.50000  110.70000
   74    72    73    35.00000  109.50000
   74    72    48    50.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    80    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    84    70.00000  124.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   78    84    85    35.00000  109.50000
   78    84    86    35.00000  109.50000
   78    84    87    35.00000  109.50000
   84    78    79    35.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    77    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   68    64    65    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   60    51    52    35.00000  109.50000
   60    51    57    50.00000  109.50000
   53    50    51    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    72   0.56750  1.0 1.0
   33    39    48    72  -0.07550 -1.0 2.0
   33    39    48    72   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    72   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    72  -0.95700  1.0 1.0
   41    39    48    72  -0.18200 -1.0 2.0
   41    39    48    72   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    72   0.62750  1.0 1.0
   43    44    48    72  -0.30950 -1.0 2.0
   43    44    48    72   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    53   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    72   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    72   0.34400  1.0 1.0
   46    44    48    72   0.09450 -1.0 2.0
   46    44    48    72   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    51    60   0.67800  1.0 1.0
   46    50    51    60   0.47050 -1.0 2.0
   46    50    51    60  -0.62500  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    62   0.31000  1.0 1.0
   50    51    57    62   0.14700 -1.0 2.0
   50    51    57    62   0.07550  1.0 3.0
   50    51    60    61  -0.07800  1.0 1.0
   50    51    60    61  -0.21500 -1.0 2.0
   50    51    60    61  -0.03150  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    62    63   0.00000  1.0 1.0
   51    57    62    64   0.09850  1.0 1.0
   51    57    62    64   0.15250 -1.0 2.0
   51    57    62    64  -0.50650  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    62   0.15000  1.0 3.0
   52    51    60    61   0.19450  1.0 3.0
   57    51    60    61  -0.11600  1.0 1.0
   57    51    60    61  -0.09450 -1.0 2.0
   57    51    60    61   0.21250  1.0 3.0
   57    62    64    65   7.00000 -1.0 2.0
   57    62    64    68   7.00000 -1.0 2.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    64   0.00000  1.0 1.0
   59    57    62    63   0.33100  1.0 3.0
   59    57    62    64   0.00000  1.0 1.0
   62    64    65    66   0.00000  1.0 1.0
   62    64    65    67   0.00000  1.0 1.0
   62    64    65    72   0.09850  1.0 1.0
   62    64    65    72   0.15250 -1.0 2.0
   62    64    65    72  -0.50650  1.0 3.0
   62    64    68    69   0.00000  1.0 1.0
   62    64    68    70   0.00000  1.0 1.0
   62    64    68    71   0.00000  1.0 1.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    68   7.00000 -1.0 2.0
   64    65    72    73   0.15000  1.0 3.0
   64    65    72    48   0.34400  1.0 1.0
   64    65    72    48   0.09450 -1.0 2.0
   64    65    72    48   0.11100  1.0 3.0
   64    65    72    74   0.61850  1.0 1.0
   64    65    72    74  -0.22750 -1.0 2.0
   64    65    72    74   0.15300  1.0 3.0
   65    64    68    69   0.34800  1.0 3.0
   65    64    68    70   0.34800  1.0 3.0
   65    64    68    71   0.34800  1.0 3.0
   65    72    48    39   0.56750  1.0 1.0
   65    72    48    39  -0.07550 -1.0 2.0
   65    72    48    39   0.20000  1.0 3.0
   65    72    48    44   0.56750  1.0 1.0
   65    72    48    44  -0.07550 -1.0 2.0
   65    72    48    44   0.20000  1.0 3.0
   65    72    48    49   0.15000  1.0 3.0
   65    72    74    75  -0.25900  1.0 1.0
   65    72    74    75  -0.47000 -1.0 2.0
   65    72    74    75   0.11750  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    48   0.15000  1.0 3.0
   66    65    72    74   0.23400  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    48   0.15000  1.0 3.0
   67    65    72    74   0.23400  1.0 3.0
   72    74    75    76   3.00000 -1.0 2.0
   72    74    75    77   2.00000 -1.0 2.0
   73    72    48    39   0.15000  1.0 3.0
   73    72    48    44   0.15000  1.0 3.0
   73    72    48    49   0.15000  1.0 3.0
   73    72    74    75   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    72    74    75  -0.25900  1.0 1.0
   48    72    74    75  -0.47000 -1.0 2.0
   48    72    74    75   0.11750  1.0 3.0
   74    72    48    39   0.62750  1.0 1.0
   74    72    48    39  -0.30950 -1.0 2.0
   74    72    48    39   0.27300  1.0 3.0
   74    72    48    44   0.62750  1.0 1.0
   74    72    48    44  -0.30950 -1.0 2.0
   74    72    48    44   0.27300  1.0 3.0
   74    72    48    49   0.23400  1.0 3.0
   74    75    77    78  -0.56150  1.0 1.0
   74    75    77    78   2.19150 -1.0 2.0
   74    75    77    80  -0.15000  1.0 1.0
   74    75    77    80   0.89550 -1.0 2.0
   74    75    77    80  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    84   7.00000 -1.0 2.0
   75    77    80    81   0.15000  1.0 3.0
   75    77    80    82   0.15000  1.0 3.0
   75    77    80    83   0.15000  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    80  -0.64400  1.0 1.0
   76    75    77    80   0.26850 -1.0 2.0
   77    78    84    85   0.00000  1.0 1.0
   77    78    84    86   0.00000  1.0 1.0
   77    78    84    87   0.00000  1.0 1.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    83   0.00000  1.0 1.0
   79    78    84    85   0.33100  1.0 3.0
   79    78    84    86   0.33100  1.0 3.0
   79    78    84    87   0.33100  1.0 3.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    84   7.00000 -1.0 2.0
   68    64    65    66   0.34800  1.0 3.0
   68    64    65    67   0.34800  1.0 3.0
   68    64    65    72   0.46850  1.0 1.0
   68    64    65    72   0.08550 -1.0 2.0
   68    64    65    72   0.09800  1.0 3.0
   60    51    57    58   0.23400  1.0 3.0
   60    51    57    59   0.23400  1.0 3.0
   60    51    57    62   1.05650  1.0 1.0
   60    51    57    62   0.15600 -1.0 2.0
   60    51    57    62   0.53150  1.0 3.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    60   0.18000  1.0 1.0
   53    50    51    60   0.16450 -1.0 2.0
   53    50    51    60   0.04450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    53    50    46   1.10000 -1.0 2.0
   57    63    62    64   1.10000 -1.0 2.0
   65    68    64    62   1.10000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    80    77    78  15.00000 -1.0 2.0
   84    79    78    77  15.00000 -1.0 2.0
END
