* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    149    229     435
    1     0 S   NP   _N1_     1    29.32989    98.01203   -18.35928
    2     1 S   H    _HN1     2     1.02778    72.25330   -78.51597
    3     1 S   H    _H1_     3     1.02961    78.26187    35.34472
    4     1 S   H    _H2_     4     1.02830    56.76810   154.92189
    5     1 S   CT   _CA1     5     1.50144   167.17469   168.76884
    6     5 S   HC   _HA1     6     1.09581   105.16334    46.67652
    7     5 S   CO3  _C1_     7     1.53764   112.48744   -73.30157
    8     7 S   O2Z  _O11     8     1.26335   115.05757   -40.24444
    9     7 S   O2Z  _O12     9     1.26234   114.92623   138.76294
   10     5 S   CT   _CB1    10     1.53074   107.37450   164.47015
   11    10 S   HC   HB11    11     1.09824   109.19458   -51.13416
   12    10 S   HC   HB12    12     1.09784   110.42283    65.30146
   13    10 S   CT   _CG1    13     1.52977   112.76345  -172.24172
   14    13 S   HC   HG11    14     1.09591   110.46493   -65.55446
   15    13 S   HC   HG12    15     1.09667   109.93878    53.58837
   16    13 S   C    _CD1    16     1.51867   112.42061   173.75810
   17    16 S   O    _OE1    17     1.22714   123.33508    -2.29618
   18    16 S   N    _N2_    18     1.38600   111.53524   178.20834
   19    18 S   H    _HN2    19     1.01595   118.86280     0.49416
   20    18 S   CT1  _CA2    20     1.46290   123.63702   178.17019
   21    20 S   HC   _HA2    21     1.09736   109.41732    -6.64181
   22    20 S   C    _C2_    22     1.53456   108.29285  -122.01253
   23    22 S   O    _O2_    23     1.23034   122.42822  -147.82126
   24    20 S   CT   _CB2    32     1.53287   111.27017   115.63275
   25    24 S   HC   HB21    33     1.09602   109.79633    52.24311
   26    24 S   HC   HB22    34     1.09490   110.95116   171.43546
   27    22 S   N    _N3_    24     1.38387   113.48605    39.77030
   28    27 S   H    _HN3    25     1.01632   119.48538    -3.74931
   29    24 S   S    _SG2    35     1.82520   111.36176   -69.01430
   30    27 S   CT   _CA3    26     1.45286   123.14909   176.91219
   31    30 S   HC   HA31    27     1.09552   107.54263   -63.43240
   32    30 S   HC   HA32    28     1.09558   107.92917    52.97502
   33    29 S   CT   _C22    36     1.81993    98.82340   161.11632
   34    33 S   HC   _H3_    37     1.09571   109.21854    60.09607
   35    33 S   HC   _H4_    38     1.09505   109.28240   -55.99084
   36    30 S   CO3  _C3_    29     1.52939   114.13041   174.94518
   37    36 S   O2Z  _O31    30     1.26367   116.05548    -0.72847
   38    36 S   O2Z  _O32    31     1.26429   114.41312   179.32856
   39    33 S   CM   _C12    39     1.51794   110.22632  -178.71763
   40    39 S   CMA  _C13    40     1.36557   123.25035    90.73399
   41    40 S   OM   _O20    41     1.26830   125.19774   178.56441
   42    39 S   CT   _C19    78     1.51532   113.28245   -91.06399
   43    42 S   HC   _H37    79     1.09530   109.97571   -60.10192
   44    42 S   HC   _H38    80     1.09504   110.24970    59.35676
   45    42 S   HC   _H39    81     1.09385   113.62928   179.62991
   46    40 S   OS   _O26    42     1.41887   110.89616    -3.47750
   47    46 S   CT   _C15    43     1.45155   118.88082   154.95334
   48    47 S   HC   _H34    44     1.09703   111.39727    21.48228
   49    47 S   CM   _C5_    45     1.52873   104.24948   -93.99796
   50    49 S   HC   _H29    46     1.09361   110.08410    45.84643
   51    47 S   CT   _C16    59     1.55678   105.49612   138.17838
   52    51 S   HC   _H35    60     1.09606   108.52420    63.76141
   53    49 S   CM   _C6_    47     1.35074   135.57166  -134.55170
   54    51 S   CM   _C8_    61     1.50018   113.67773   -55.85464
   55    53 S   CM   _C7_    48     1.44109   124.24299    -4.39097
   56    54 S   CO4  _C10    62     1.46975   110.41651  -104.99149
   57    56 S   O    _O22    63     1.21760   127.27257   170.75722
   58    54 S   CM   _C11    65     1.33659   128.53688    79.63181
   59    58 S   HC   _H30    66     1.08411   120.77838    -2.28525
   60    58 S   HC   _H31    67     1.08476   121.90344   177.53367
   61    53 S   CT   _C21    73     1.51208   120.24955  -179.74744
   62    61 S   HC   _H43    74     1.09557   111.06091   119.22668
   63    61 S   HC   _H44    75     1.09542   112.00903    -1.10181
   64    55 S   CM   _C4_    49     1.33249   125.62734  -114.32439
   65    64 S   HC   _H28    50     1.07380   131.01609    -3.20339
   66    80 S   OS   _O24    64     1.44487   108.24953  -166.72035
   67    61 S   OH   _O25    76     1.42307   109.60166  -120.58019
   68    67 S   HO   _H47    77     0.97219   107.00038   179.70064
   69    64 S   CO4  _C9_    51     1.45720   101.16518   166.86339
   70    69 S   O    _O21    52     1.22070   123.43309   176.49619
   71    69 S   CT   _C18    53     1.51018   110.08371    -6.34088
   72    71 S   CT   _C14    54     1.54298   111.54386  -100.08149
   73    72 S   HC   _H32    55     1.09804   109.80867   -47.45667
   74    72 S   HC   _H33    56     1.09743   109.53833  -162.45672
   75    55 S   OS   _O23    68     1.38905   116.29706    60.79747
   76    71 S   CT   _C20    69     1.52086   110.92692   133.25734
   77    76 S   HC   _H40    70     1.09502   110.80139  -169.57840
   78    76 S   HC   _H41    71     1.09485   111.55813    69.03608
   79    76 S   HC   _H42    72     1.09629   111.00679   -51.43124
   80    72 S   CT   _C17    57     1.54660   114.50311    76.13573
   81    80 S   HC   _H36    58     1.09306   110.43051   -52.54306
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1   8  10   3   4   2   1   1   9  15   7
  13   4  15   7  11   9  12   8   3   4   1   1   6   3   2   7
   4   6   1   1  11   4  10   9   5   4   5   4   2   1   1   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    51    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    53    80    51    52    54  
   48    49    50    53    55    72    80    81    51    52    54    56    66    58    61  
   49    50    53    80    51    52    54  
   50    53    55    64    80    51    52    54    75    61    62    63    67  
   53    55    51    61  
   52    54    56    57    66    58    59    60    53    71    72    73    74    80    81  
   54    56    66    58    72    80    81  
   55    64    65    69    71    75    61    62    63    67    68  
   56    57    66    58    59    60    72    80    81  
   64    65    69    70    71    72    75    76    61    62    63    67  
   57    66    58    59    60    72    80    81  
   66    58    80  
   59    60    66    80  
   60  
    0  
   62    63    67    68    64    75  
   63    67    68  
   67    68  
   65    69    70    71    72    75    76  
   69    70    71    75  
   71    72    73    74    80    81  
   68  
    0  
   70    71    72    73    74    80    75    76    77    78    79  
   71    72    75    76  
   72    73    74    80    81    75    76    77    78    79  
   73    74    80    81    75    76    77    78    79  
   74    80    81    75    76  
   80    81    75    76  
   76    77    78    79    80  
   77    78    79    80  
   78    79  
   79  
    0  
   81  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   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
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   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   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   317.000  1.510
   47    51   268.000  1.529
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    55   380.000  1.444
   53    61   317.000  1.510
   55    64   549.000  1.340
   55    75   440.000  1.360
   64    65   340.000  1.080
   64    69   320.000  1.462
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   268.000  1.529
   71    75   320.000  1.410
   71    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    80   268.000  1.529
   80    81   340.000  1.090
   80    51   268.000  1.529
   80    66   320.000  1.410
   51    52   340.000  1.090
   51    54   317.000  1.510
   54    56   320.000  1.462
   54    58   549.000  1.340
   56    57   570.000  1.229
   56    66   214.000  1.327
   58    59   340.000  1.080
   58    60   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   320.000  1.410
   67    68   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    85.00000  110.90400
   46    47    51    50.00000  109.50000
   47    49    50    35.00000  117.00000
   47    49    53    70.00000  124.00000
   47    51    80    58.35000  112.70000
   47    51    52    37.50000  110.70000
   47    51    54    70.00000  112.02700
   49    47    48    35.00000  109.50000
   49    53    55    70.00000  123.01800
   49    53    61    70.00000  124.00000
   53    49    50    35.00000  120.00000
   53    55    64    70.00000  123.01800
   53    55    75    80.00000  120.01400
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    67    90.00000  110.39200
   55    64    65    35.00000  120.00000
   55    64    69    65.00000  118.96000
   55    75    71    90.00000  111.18400
   64    69    70    80.00000  123.72100
   64    69    71    65.00000  118.62400
   69    64    65    40.00000  117.72500
   69    71    72    63.00000  111.10000
   69    71    75    90.00000  108.74100
   69    71    76    63.00000  111.10000
   71    69    70    80.00000  120.40000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   71    72    80    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    37.50000  110.70000
   72    80    81    37.50000  110.70000
   72    80    51    58.35000  112.70000
   72    80    66    50.00000  109.50000
   74    72    73    33.00000  107.80000
   80    72    73    37.50000  110.70000
   80    72    74    37.50000  110.70000
   80    51    52    37.50000  110.70000
   80    51    54    70.00000  112.02700
   80    66    56    83.00000  116.90000
   51    47    48    37.50000  110.70000
   51    47    49    70.00000  112.02700
   51    80    81    37.50000  110.70000
   51    54    56    65.00000  116.34900
   51    54    58    70.00000  124.00000
   54    51    52    35.00000  109.50000
   54    56    57    80.00000  123.72100
   54    56    66    90.00000  111.29400
   54    58    59    35.00000  120.00000
   54    58    60    35.00000  120.00000
   66    80    81    35.00000  109.50000
   66    80    51    50.00000  109.50000
   66    56    57    83.00000  123.40000
   58    54    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   75    55    64    80.00000  120.01400
   75    71    72    50.00000  109.50000
   76    71    72    58.35000  112.70000
   76    71    75    50.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   61    53    55    70.00000  124.00000
   61    67    68    55.00000  108.50000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.48150  1.0 1.0
   40    46    47    49   0.09250 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    51  -0.46850  1.0 1.0
   40    46    47    51   0.09300 -1.0 2.0
   40    46    47    51  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.00000  1.0 1.0
   46    47    49    53   0.39000  1.0 1.0
   46    47    49    53  -0.05800 -1.0 2.0
   46    47    49    53  -0.55150  1.0 3.0
   46    47    51    80   0.62750  1.0 1.0
   46    47    51    80  -0.30950 -1.0 2.0
   46    47    51    80   0.27300  1.0 3.0
   46    47    51    52   0.23400  1.0 3.0
   46    47    51    54   0.61850  1.0 1.0
   46    47    51    54  -0.22750 -1.0 2.0
   46    47    51    54   0.15300  1.0 3.0
   47    49    53    55   7.00000 -1.0 2.0
   47    49    53    61   7.00000 -1.0 2.0
   47    51    54    56   0.09700  1.0 1.0
   47    51    54    56   0.15600 -1.0 2.0
   47    51    54    56  -0.50800  1.0 3.0
   47    51    54    58   0.09850  1.0 1.0
   47    51    54    58   0.15250 -1.0 2.0
   47    51    54    58  -0.50650  1.0 3.0
   48    47    49    50   0.33100  1.0 3.0
   48    47    49    53   0.00000  1.0 1.0
   48    47    51    80   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   49    47    51    80   0.34400  1.0 1.0
   49    47    51    80   0.09450 -1.0 2.0
   49    47    51    80   0.11100  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    54   0.31000  1.0 1.0
   49    47    51    54   0.14700 -1.0 2.0
   49    47    51    54   0.07550  1.0 3.0
   49    53    55    64   0.28850  1.0 1.0
   49    53    55    64   2.61350 -1.0 2.0
   49    53    55    64   0.78400  1.0 3.0
   49    53    55    75  -0.51250  1.0 1.0
   49    53    55    75   1.23350 -1.0 2.0
   49    53    61    62   0.00000  1.0 1.0
   49    53    61    63   0.00000  1.0 1.0
   49    53    61    67   0.67800  1.0 1.0
   49    53    61    67   0.47050 -1.0 2.0
   49    53    61    67  -0.62500  1.0 3.0
   50    49    53    55   7.00000 -1.0 2.0
   50    49    53    61   7.00000 -1.0 2.0
   53    55    64    65   7.00000 -1.0 2.0
   53    55    64    69   7.00000 -1.0 2.0
   53    55    75    71  -2.26850  1.0 1.0
   53    55    75    71   3.39050 -1.0 2.0
   53    61    67    68  -0.07800  1.0 1.0
   53    61    67    68  -0.21500 -1.0 2.0
   53    61    67    68  -0.03150  1.0 3.0
   55    53    61    62   0.00000  1.0 1.0
   55    53    61    63   0.00000  1.0 1.0
   55    53    61    67  -0.17300  1.0 1.0
   55    53    61    67   0.35150 -1.0 2.0
   55    53    61    67   0.31550  1.0 3.0
   55    64    69    70   1.00000 -1.0 2.0
   55    64   -69    71  -0.33500  1.0 1.0
   55    64   -69    71   1.06600 -1.0 2.0
   55    64   -69    71  -0.14000  1.0 3.0
   64    55   -75    71  -2.26850  1.0 1.0
   64    55   -75    71   3.39050 -1.0 2.0
   64    69    71    72   0.65300  1.0 1.0
   64    69    71    72  -0.03850 -1.0 2.0
   64    69    71    72   0.33900  1.0 3.0
   64    69   -71    75   0.65300  1.0 1.0
   64    69   -71    75  -0.03850 -1.0 2.0
   64    69   -71    75   0.33900  1.0 3.0
   64    69    71    76   0.65300  1.0 1.0
   64    69    71    76  -0.03850 -1.0 2.0
   64    69    71    76   0.33900  1.0 3.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.04550  1.0 1.0
   65    64    69    71   0.83000 -1.0 2.0
   65    64    69    71  -0.04000  1.0 3.0
   69    71    72    73  -0.11250  1.0 3.0
   69    71    72    74  -0.11250  1.0 3.0
   69    71    72    80  -0.95700  1.0 1.0
   69    71    72    80  -0.18200 -1.0 2.0
   69    71    72    80   0.29450  1.0 3.0
   69    71   -75    55  -0.48150  1.0 1.0
   69    71   -75    55   0.09250 -1.0 2.0
   69    71   -75    55  -0.12850  1.0 3.0
   69    71    76    77  -0.11250  1.0 3.0
   69    71    76    78  -0.11250  1.0 3.0
   69    71    76    79  -0.11250  1.0 3.0
   70    69    71    72   0.30150 -1.0 2.0
   70    69    71    75   0.30150 -1.0 2.0
   70    69    71    76   0.30150 -1.0 2.0
   71    72    80    81   0.15000  1.0 3.0
   71    72    80    51   0.56750  1.0 1.0
   71    72    80    51  -0.07550 -1.0 2.0
   71    72    80    51   0.20000  1.0 3.0
   71    72    80    66   0.62750  1.0 1.0
   71    72    80    66  -0.30950 -1.0 2.0
   71    72    80    66   0.27300  1.0 3.0
   72    71    75    55  -0.46850  1.0 1.0
   72    71    75    55   0.09300 -1.0 2.0
   72    71    75    55  -0.12850  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.15000  1.0 3.0
   72    80    51    47   0.56750  1.0 1.0
   72    80    51    47  -0.07550 -1.0 2.0
   72    80    51    47   0.20000  1.0 3.0
   72    80    51    52   0.15000  1.0 3.0
   72    80    51    54   0.34400  1.0 1.0
   72    80    51    54   0.09450 -1.0 2.0
   72    80    51    54   0.11100  1.0 3.0
   72    80    66    56  -0.25900  1.0 1.0
   72    80    66    56  -0.47000 -1.0 2.0
   72    80    66    56   0.11750  1.0 3.0
   73    72    80    81   0.15000  1.0 3.0
   73    72    80    51   0.15000  1.0 3.0
   73    72    80    66   0.23400  1.0 3.0
   74    72    80    81   0.15000  1.0 3.0
   74    72    80    51   0.15000  1.0 3.0
   74    72    80    66   0.23400  1.0 3.0
   80    51   -54    56   0.09700  1.0 1.0
   80    51   -54    56   0.15600 -1.0 2.0
   80    51   -54    56  -0.50800  1.0 3.0
   80    51    54    58   0.09850  1.0 1.0
   80    51    54    58   0.15250 -1.0 2.0
   80    51    54    58  -0.50650  1.0 3.0
   81    80    51    47   0.15000  1.0 3.0
   81    80    51    52   0.15000  1.0 3.0
   81    80    51    54   0.15000  1.0 3.0
   81    80    66    56   0.08050  1.0 3.0
   51    47    49    50   0.00000  1.0 1.0
   51    47    49    53   0.09850  1.0 1.0
   51    47    49    53   0.15250 -1.0 2.0
   51    47    49    53  -0.50650  1.0 3.0
   51    80   -66    56  -0.25900  1.0 1.0
   51    80   -66    56  -0.47000 -1.0 2.0
   51    80   -66    56   0.11750  1.0 3.0
   51    54    56    57  -0.64400  1.0 1.0
   51    54    56    57   0.26850 -1.0 2.0
   51    54   -56    66  -0.15000  1.0 1.0
   51    54   -56    66   0.89550 -1.0 2.0
   51    54   -56    66  -0.06900  1.0 3.0
   51    54    58    59   7.00000 -1.0 2.0
   51    54    58    60   7.00000 -1.0 2.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    58   0.00000  1.0 1.0
   54    56   -66    80   2.00000 -1.0 2.0
   56    54    58    59   7.00000 -1.0 2.0
   56    54    58    60   7.00000 -1.0 2.0
   57    56    66    80   3.00000 -1.0 2.0
   66    80    51    47   0.62750  1.0 1.0
   66    80    51    47  -0.30950 -1.0 2.0
   66    80    51    47   0.27300  1.0 3.0
   66    80    51    52   0.23400  1.0 3.0
   66    80   -51    54   0.61850  1.0 1.0
   66    80   -51    54  -0.22750 -1.0 2.0
   66    80   -51    54   0.15300  1.0 3.0
   58    54    56    57   1.00000 -1.0 2.0
   58    54    56    66  -0.56150  1.0 1.0
   58    54    56    66   2.19150 -1.0 2.0
   75    55    64    65   7.00000 -1.0 2.0
   75    55   -64    69   7.00000 -1.0 2.0
   75    71    72    73   0.23400  1.0 3.0
   75    71    72    74   0.23400  1.0 3.0
   75    71    72    80   0.62750  1.0 1.0
   75    71    72    80  -0.30950 -1.0 2.0
   75    71    72    80   0.27300  1.0 3.0
   75    71    76    77   0.23400  1.0 3.0
   75    71    76    78   0.23400  1.0 3.0
   75    71    76    79   0.23400  1.0 3.0
   76    71    72    73   0.15000  1.0 3.0
   76    71    72    74   0.15000  1.0 3.0
   76    71    72    80   0.56750  1.0 1.0
   76    71    72    80  -0.07550 -1.0 2.0
   76    71    72    80   0.20000  1.0 3.0
   76    71    75    55  -0.46850  1.0 1.0
   76    71    75    55   0.09300 -1.0 2.0
   76    71    75    55  -0.12850  1.0 3.0
   61    53    55    64  -0.18600  1.0 3.0
   61    53    55    75   1.08500 -1.0 2.0
   62    61    67    68   0.19450  1.0 3.0
   63    61    67    68   0.19450  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   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
   38    30    36    37  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   47    50    49    53   1.10000 -1.0 2.0
   55    61    53    49   1.10000 -1.0 2.0
   53    75    55    64   1.10000 -1.0 2.0
   69    65    64    55   1.10000 -1.0 2.0
   64    71    69    70  10.50000 -1.0 2.0
   51    56    54    58   1.10000 -1.0 2.0
   54    66    56    57  10.50000 -1.0 2.0
   59    60    58    54   1.10000 -1.0 2.0
END
