* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    161    244     475
    1     0 S   NP   _N1_     1    29.28190    93.62651   -26.32233
    2     1 S   H    _HN1     2     1.02794   121.63618  -107.72350
    3     1 S   H    _H1_     3     1.02946    89.76466     3.85793
    4     1 S   H    _H2_     4     1.02827    18.75623  -153.91869
    5     1 S   CT   _CA1     5     1.50125   111.87432   115.83398
    6     5 S   HC   _HA1     6     1.09574   105.15258    79.36993
    7     5 S   CO3  _C1_     7     1.53765   112.49139   -40.81505
    8     7 S   O2Z  _O11     8     1.26375   115.00241   -41.89145
    9     7 S   O2Z  _O12     9     1.26237   114.94124   137.11534
   10     5 S   CT   _CB1    10     1.53058   107.40300  -162.66807
   11    10 S   HC   HB11    11     1.09841   109.30479   -49.39481
   12    10 S   HC   HB12    12     1.09810   110.48263    67.19564
   13    10 S   CT   _CG1    13     1.53019   112.65022  -170.33627
   14    13 S   HC   HG11    14     1.09569   110.73107   -67.81026
   15    13 S   HC   HG12    15     1.09671   109.69423    51.43832
   16    13 S   C    _CD1    16     1.51813   111.99270   171.90393
   17    16 S   O    _OE1    17     1.22754   123.17750    12.52365
   18    16 S   N    _N2_    18     1.38642   111.82418  -167.46696
   19    18 S   H    _HN2    19     1.01567   118.97656     1.02067
   20    18 S   CT1  _CA2    20     1.46222   123.37531   176.30933
   21    20 S   HC   _HA2    21     1.09742   109.32869     7.06647
   22    20 S   C    _C2_    22     1.53648   108.61647  -108.42905
   23    22 S   O    _O2_    23     1.23066   122.31788  -147.18270
   24    20 S   CT   _CB2    32     1.53251   111.69155   129.09062
   25    24 S   HC   HB21    33     1.09591   110.27967    56.61009
   26    24 S   HC   HB22    34     1.09454   109.99370   175.68498
   27    22 S   N    _N3_    24     1.38338   113.77580    40.18509
   28    27 S   H    _HN3    25     1.01546   119.60760    -2.91699
   29    24 S   S    _SG2    35     1.82646   111.54467   -64.08756
   30    27 S   CT   _CA3    26     1.45281   123.29789   177.33193
   31    30 S   HC   HA31    27     1.09546   107.47618   -65.77256
   32    30 S   HC   HA32    28     1.09554   108.04478    50.69928
   33    29 S   CT   _C18    36     1.87552    99.55700  -176.32384
   34    33 S   HC   _H3_    37     1.09955   103.89257    -9.19003
   35    30 S   CO3  _C3_    29     1.52982   114.02499   172.72026
   36    35 S   O2Z  _O31    30     1.26386   116.07793    -0.77025
   37    35 S   O2Z  _O32    31     1.26426   114.42099   179.29891
   38    33 S   CT   _C16    38     1.56692   111.35753   102.50759
   39    38 S   HC   _H40    39     1.08748   106.94564  -177.17056
   40    33 S   CT   _C19    63     1.59448   113.12127  -121.72148
   41    40 S   OM   _O21    64     1.32056   110.62774   -58.43509
   42    38 S   CT   _C15    40     1.54420   120.50650    54.61761
   43    42 S   HC   _H39    41     1.09398   112.90995    20.26946
   44    40 S   CT   _C23    65     1.57172   108.46313    57.70887
   45    44 S   HC   _H51    66     1.09625   110.19778    58.55810
   46    44 S   HC   _H52    67     1.09589   113.25588   -61.75729
   47    42 S   CM   _C6_    42     1.49868    99.74503   -96.66454
   48    42 S   CT   _C17    49     1.56837   115.42800   147.93395
   49    48 S   HC   _H41    50     1.09956   108.20731   142.34719
   50    44 S   OH   _O26    68     1.43008   112.29121   177.80278
   51    50 S   HO   _H54    69     0.97408   105.51156    46.67826
   52    47 S   CO4  _C7_    43     1.47209   109.56790   -23.11545
   53    52 S   O    _O22    44     1.21713   127.22209  -167.93906
   54    47 S   CM   _C8_    46     1.33603   128.21659   154.24644
   55    54 S   HC   _H30    47     1.08489   120.69072     1.32071
   56    54 S   HC   _H31    48     1.08495   121.72753  -178.41835
   57    48 S   CT   _C13    51     1.55399   115.39565   -99.73935
   58    57 S   HC   _H35    52     1.09863   106.31883   -83.32492
   59    57 S   HC   _H36    53     1.09688   110.83882   161.95510
   60    48 S   OS   _O27    74     1.44809   109.95528    25.11288
   61    38 S   OS   _O24    45     1.45748   108.35076   -66.41629
   62    57 S   CM   _C5_    54     1.51329   116.77152    37.15787
   63    60 S   CO4  _C11    75     1.35912   118.38096   150.73024
   64    63 S   O    _O23    76     1.22224   125.98839     0.49178
   65    62 S   CM   _C4_    55     1.34490   120.18753    51.91898
   66    65 S   HC   _H29    56     1.08795   118.11818     8.94536
   67    62 S   CT   _C20    70     1.50471   114.53069  -124.47217
   68    67 S   HC   _H43    71     1.09569   109.66166   -57.89285
   69    67 S   HC   _H44    72     1.09163   113.70949  -177.17139
   70    67 S   HC   _H45    73     1.09478   110.45725    61.16279
   71    63 S   CM   _C10    77     1.49616   109.25565  -179.95577
   72    65 S   CT   _C12    57     1.49591   127.97307  -165.08169
   73    72 S   HC   _H33    58     1.09771   107.43206  -132.18452
   74    72 S   HC   _H34    59     1.09322   113.22193   -16.42143
   75    71 S   CM   _C9_    78     1.34666   115.88820  -164.10333
   76    75 S   HC   _H32    79     1.08971   119.13748     0.61929
   77    71 S   CT   _C21    85     1.50047   118.05220    16.90203
   78    77 S   HC   _H46    86     1.09510   110.43956   -68.86339
   79    77 S   HC   _H47    87     1.09190   113.35401   170.40202
   80    77 S   HC   _H48    88     1.09540   110.29600    51.13246
   81    72 S   CT   _C14    60     1.55069   112.53020   108.87972
   82    81 S   HC   _H37    61     1.09903   108.90751    60.45580
   83    81 S   HC   _H38    62     1.09898   104.70038   170.03005
   84    75 S   CT   _C22    80     1.49572   127.66587   179.41987
   85    84 S   HC   _H49    81     1.09111   113.90575    -0.62589
   86    84 S   HC   _H50    82     1.09480   109.38034  -121.81187
   87    84 S   OH   _O25    83     1.42095   108.38204   120.16254
   88    87 S   HO   _H53    84     0.97229   107.04236   177.84033
  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  10   5   4   3
  19   8   2   1   1  16   7  15   8  16   8   8   4   3  10  14
   6   2   1   5   2   3   1   1  12   5   4   6   1  10   9   3
  11   5   4   2   1   1  10   5   4   3  10   5   4   2   1   1
   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    61    81    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    52    61    48    72    81    82    83    40    41    44    45    46    50  
   38    39    42    61    81    40    41    44  
   36    37  
   37  
    0  
   39    42    43    47    52    53    61    54    48    49    57    81    40    41    44    60  
   42    43    47    52    61    48    40  
   41    44    45    46    50    51    42    61    65    72    73    74    81    82    83  
   44    45    46    50    72    81    82    83  
   43    47    52    53    61    54    55    56    48    49    57    58    59    62    60    63  
   47    52    61    54    48    49    57    60  
   45    46    50    51    72    81    82    83  
   46    50    51    81  
   50    51    81  
   52    53    61    54    55    56    48    49    57    60  
   49    57    58    59    62    65    67    60    63    64    71    52    54    61  
   57    58    59    62    60    63  
   51    81  
    0  
   53    61    54    55    56  
   61    54  
   55    56    61  
   56  
    0  
   58    59    62    65    66    72    67    68    69    70    60    63  
   59    62    65    67    60  
   62    65    67    60  
   63    64    71    75    77    62  
    0  
   65    66    72    73    74    81    67    68    69    70  
   64    71    75    76    84    77    78    79    80  
   71    75    77  
   66    72    73    74    81    82    83    67    68    69    70  
   72    73    74    81    67  
   68    69    70    72  
   69    70  
   70  
    0  
   75    76    84    85    86    87    77    78    79    80  
   73    74    81    82    83  
   74    81    82    83  
   81    82    83  
   76    84    85    86    87    88    77    78    79    80  
   84    85    86    87    77  
   78    79    80    84  
   79    80  
   80  
    0  
   82    83  
   83  
    0  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   2.5000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    61   320.000  1.410
   42    43   340.000  1.090
   42    47   317.000  1.510
   42    48   268.000  1.529
   47    52   320.000  1.462
   47    54   549.000  1.340
   52    53   570.000  1.229
   52    61   214.000  1.327
   54    55   340.000  1.080
   54    56   340.000  1.080
   48    49   340.000  1.090
   48    57   268.000  1.529
   48    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   317.000  1.510
   62    65   549.000  1.340
   62    67   317.000  1.510
   65    66   340.000  1.080
   65    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   320.000  1.410
   50    51   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    71   320.000  1.462
   71    75   549.000  1.340
   71    77   317.000  1.510
   75    76   340.000  1.080
   75    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   320.000  1.410
   87    88   553.000  0.945
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    61    50.00000  109.50000
   33    40    81    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    47    70.00000  112.02700
   38    42    48    58.35000  112.70000
   38    61    52    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    47    52    65.00000  116.34900
   42    47    54    70.00000  124.00000
   42    48    49    37.50000  110.70000
   42    48    57    58.35000  112.70000
   42    48    60    50.00000  109.50000
   47    42    43    35.00000  109.50000
   47    52    53    80.00000  123.72100
   47    52    61    90.00000  111.29400
   47    54    55    35.00000  120.00000
   47    54    56    35.00000  120.00000
   61    38    39    35.00000  109.50000
   61    38    42    50.00000  109.50000
   61    52    53    83.00000  123.40000
   54    47    52    65.00000  118.96000
   56    54    55    35.00000  117.00000
   48    42    43    37.50000  110.70000
   48    42    47    70.00000  112.02700
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    62    70.00000  112.02700
   48    60    63    83.00000  116.90000
   57    48    49    37.50000  110.70000
   57    62    65    70.00000  124.00000
   57    62    67    65.00000  117.92700
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    65    66    35.00000  120.00000
   62    65    72    70.00000  124.00000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    81    70.00000  112.02700
   72    65    66    35.00000  117.00000
   72    81    82    37.50000  110.70000
   72    81    83    37.50000  110.70000
   72    81    40    58.35000  112.70000
   74    72    73    33.00000  107.80000
   81    72    73    37.50000  110.70000
   81    72    74    37.50000  110.70000
   81    40    41    50.00000  109.50000
   81    40    44    58.35000  112.70000
   83    81    82    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    81    83    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    50.00000  109.50000
   44    40    41    50.00000  109.50000
   44    50    51    55.00000  108.50000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   67    62    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   60    48    49    35.00000  109.50000
   60    48    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    71    90.00000  111.29400
   63    71    75    65.00000  118.96000
   63    71    77    65.00000  116.34900
   71    63    64    80.00000  123.72100
   71    75    76    35.00000  120.00000
   71    75    84    70.00000  124.00000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   75    84    85    35.00000  109.50000
   75    84    86    35.00000  109.50000
   75    84    87    90.00000  110.39200
   84    75    76    35.00000  117.00000
   84    87    88    55.00000  108.50000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   77    71    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    61   0.56750  1.0 1.0
   29    33    38    61  -0.07550 -1.0 2.0
   29    33    38    61   0.20000  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    47   0.34400  1.0 1.0
   33    38    42    47   0.09450 -1.0 2.0
   33    38    42    47   0.11100  1.0 3.0
   33    38    42    48   0.56750  1.0 1.0
   33    38    42    48  -0.07550 -1.0 2.0
   33    38    42    48   0.20000  1.0 3.0
   33    38    61    52  -0.25900  1.0 1.0
   33    38    61    52  -0.47000 -1.0 2.0
   33    38    61    52   0.11750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    50   0.86500  1.0 1.0
   33    40    44    50  -0.17500 -1.0 2.0
   33    40    44    50   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    61   0.23400  1.0 3.0
   34    33    40    81   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    81   0.56750  1.0 1.0
   38    33    40    81  -0.07550 -1.0 2.0
   38    33    40    81   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42   -47    52   0.09700  1.0 1.0
   38    42   -47    52   0.15600 -1.0 2.0
   38    42   -47    52  -0.50800  1.0 3.0
   38    42    47    54   0.09850  1.0 1.0
   38    42    47    54   0.15250 -1.0 2.0
   38    42    47    54  -0.50650  1.0 3.0
   38    42    48    49   0.15000  1.0 3.0
   38    42    48    57   0.56750  1.0 1.0
   38    42    48    57  -0.07550 -1.0 2.0
   38    42    48    57   0.20000  1.0 3.0
   38    42    48    60   0.62750  1.0 1.0
   38    42    48    60  -0.30950 -1.0 2.0
   38    42    48    60   0.27300  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38    61    52   0.08050  1.0 3.0
   42    38   -61    52  -0.25900  1.0 1.0
   42    38   -61    52  -0.47000 -1.0 2.0
   42    38   -61    52   0.11750  1.0 3.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47   -52    61  -0.15000  1.0 1.0
   42    47   -52    61   0.89550 -1.0 2.0
   42    47   -52    61  -0.06900  1.0 3.0
   42    47    54    55   7.00000 -1.0 2.0
   42    47    54    56   7.00000 -1.0 2.0
   42    48    57    58   0.15000  1.0 3.0
   42    48    57    59   0.15000  1.0 3.0
   42    48    57    62   0.34400  1.0 1.0
   42    48    57    62   0.09450 -1.0 2.0
   42    48    57    62   0.11100  1.0 3.0
   42    48    60    63  -0.25900  1.0 1.0
   42    48    60    63  -0.47000 -1.0 2.0
   42    48    60    63   0.11750  1.0 3.0
   43    42    47    52   0.15000  1.0 3.0
   43    42    47    54   0.00000  1.0 1.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    57   0.15000  1.0 3.0
   43    42    48    60   0.23400  1.0 3.0
   47    42    48    49   0.15000  1.0 3.0
   47    42    48    57   0.34400  1.0 1.0
   47    42    48    57   0.09450 -1.0 2.0
   47    42    48    57   0.11100  1.0 3.0
   47    42    48    60   0.61850  1.0 1.0
   47    42    48    60  -0.22750 -1.0 2.0
   47    42    48    60   0.15300  1.0 3.0
   47    52   -61    38   2.00000 -1.0 2.0
   52    47    54    55   7.00000 -1.0 2.0
   52    47    54    56   7.00000 -1.0 2.0
   53    52    61    38   3.00000 -1.0 2.0
   61    38    42    43   0.23400  1.0 3.0
   61    38   -42    47   0.61850  1.0 1.0
   61    38   -42    47  -0.22750 -1.0 2.0
   61    38   -42    47   0.15300  1.0 3.0
   61    38    42    48   0.62750  1.0 1.0
   61    38    42    48  -0.30950 -1.0 2.0
   61    38    42    48   0.27300  1.0 3.0
   54    47    52    53   1.00000 -1.0 2.0
   54    47    52    61  -0.56150  1.0 1.0
   54    47    52    61   2.19150 -1.0 2.0
   48    42    47    52   0.09700  1.0 1.0
   48    42    47    52   0.15600 -1.0 2.0
   48    42    47    52  -0.50800  1.0 3.0
   48    42    47    54   0.09850  1.0 1.0
   48    42    47    54   0.15250 -1.0 2.0
   48    42    47    54  -0.50650  1.0 3.0
   48    57    62    65   0.09850  1.0 1.0
   48    57    62    65   0.15250 -1.0 2.0
   48    57    62    65  -0.50650  1.0 3.0
   48    57    62    67   0.46850  1.0 1.0
   48    57    62    67   0.08550 -1.0 2.0
   48    57    62    67   0.09800  1.0 3.0
   48    60    63    64   3.00000 -1.0 2.0
   48    60    63    71   2.00000 -1.0 2.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   49    48    57    62   0.15000  1.0 3.0
   49    48    60    63   0.08050  1.0 3.0
   57    48    60    63  -0.25900  1.0 1.0
   57    48    60    63  -0.47000 -1.0 2.0
   57    48    60    63   0.11750  1.0 3.0
   57    62    65    66   7.00000 -1.0 2.0
   57    62    65    72   7.00000 -1.0 2.0
   57    62    67    68   0.34800  1.0 3.0
   57    62    67    69   0.34800  1.0 3.0
   57    62    67    70   0.34800  1.0 3.0
   58    57    62    65   0.00000  1.0 1.0
   58    57    62    67   0.34800  1.0 3.0
   59    57    62    65   0.00000  1.0 1.0
   59    57    62    67   0.34800  1.0 3.0
   62    65    72    73   0.00000  1.0 1.0
   62    65    72    74   0.00000  1.0 1.0
   62    65    72    81   0.09850  1.0 1.0
   62    65    72    81   0.15250 -1.0 2.0
   62    65    72    81  -0.50650  1.0 3.0
   65    62    67    68   0.00000  1.0 1.0
   65    62    67    69   0.00000  1.0 1.0
   65    62    67    70   0.00000  1.0 1.0
   65    72    81    82   0.15000  1.0 3.0
   65    72    81    83   0.15000  1.0 3.0
   65    72    81    40   0.34400  1.0 1.0
   65    72    81    40   0.09450 -1.0 2.0
   65    72    81    40   0.11100  1.0 3.0
   66    65    72    73   0.33100  1.0 3.0
   66    65    72    74   0.33100  1.0 3.0
   66    65    72    81   0.00000  1.0 1.0
   72    81    40    33   0.56750  1.0 1.0
   72    81    40    33  -0.07550 -1.0 2.0
   72    81    40    33   0.20000  1.0 3.0
   72    81    40    41   0.62750  1.0 1.0
   72    81    40    41  -0.30950 -1.0 2.0
   72    81    40    41   0.27300  1.0 3.0
   72    81    40    44   0.56750  1.0 1.0
   72    81    40    44  -0.07550 -1.0 2.0
   72    81    40    44   0.20000  1.0 3.0
   73    72    81    82   0.15000  1.0 3.0
   73    72    81    83   0.15000  1.0 3.0
   73    72    81    40   0.15000  1.0 3.0
   74    72    81    82   0.15000  1.0 3.0
   74    72    81    83   0.15000  1.0 3.0
   74    72    81    40   0.15000  1.0 3.0
   81    40    44    45   0.15000  1.0 3.0
   81    40    44    46   0.15000  1.0 3.0
   81    40    44    50   0.86500  1.0 1.0
   81    40    44    50  -0.17500 -1.0 2.0
   81    40    44    50   0.20800  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.23400  1.0 3.0
   82    81    40    44   0.15000  1.0 3.0
   83    81    40    33   0.15000  1.0 3.0
   83    81    40    41   0.23400  1.0 3.0
   83    81    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   0.27300  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    50   3.69350  1.0 1.0
   41    40    44    50  -1.82950 -1.0 2.0
   45    44    50    51   0.19450  1.0 3.0
   46    44    50    51   0.19450  1.0 3.0
   67    62    65    66   7.00000 -1.0 2.0
   67    62    65    72   7.00000 -1.0 2.0
   60    48    57    58   0.23400  1.0 3.0
   60    48    57    59   0.23400  1.0 3.0
   60    48    57    62   0.61850  1.0 1.0
   60    48    57    62  -0.22750 -1.0 2.0
   60    48    57    62   0.15300  1.0 3.0
   60    63    71    75  -0.56150  1.0 1.0
   60    63    71    75   2.19150 -1.0 2.0
   60    63    71    77  -0.15000  1.0 1.0
   60    63    71    77   0.89550 -1.0 2.0
   60    63    71    77  -0.06900  1.0 3.0
   63    71    75    76   7.00000 -1.0 2.0
   63    71    75    84   7.00000 -1.0 2.0
   63    71    77    78   0.15000  1.0 3.0
   63    71    77    79   0.15000  1.0 3.0
   63    71    77    80   0.15000  1.0 3.0
   64    63    71    75   1.00000 -1.0 2.0
   64    63    71    77  -0.64400  1.0 1.0
   64    63    71    77   0.26850 -1.0 2.0
   71    75    84    85   0.00000  1.0 1.0
   71    75    84    86   0.00000  1.0 1.0
   71    75    84    87   0.67800  1.0 1.0
   71    75    84    87   0.47050 -1.0 2.0
   71    75    84    87  -0.62500  1.0 3.0
   75    71    77    78   0.00000  1.0 1.0
   75    71    77    79   0.00000  1.0 1.0
   75    71    77    80   0.00000  1.0 1.0
   75    84    87    88  -0.07800  1.0 1.0
   75    84    87    88  -0.21500 -1.0 2.0
   75    84    87    88  -0.03150  1.0 3.0
   76    75    84    85   0.33100  1.0 3.0
   76    75    84    86   0.33100  1.0 3.0
   76    75    84    87   0.00000  1.0 1.0
   85    84    87    88   0.19450  1.0 3.0
   86    84    87    88   0.19450  1.0 3.0
   77    71    75    76   7.00000 -1.0 2.0
   77    71    75    84   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   42    52    47    54   1.10000 -1.0 2.0
   47    61    52    53  10.50000 -1.0 2.0
   55    56    54    47   1.10000 -1.0 2.0
   57    67    62    65   1.10000 -1.0 2.0
   72    66    65    62   1.10000 -1.0 2.0
   60    71    63    64  10.50000 -1.0 2.0
   63    77    71    75  15.00000 -1.0 2.0
   84    76    75    71  15.00000 -1.0 2.0
END
