* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    153    214     438
    1     0 S   NP   _N1_     1    30.18523    99.60091   -21.43619
    2     1 S   H    _HN1     2     1.02781    85.89691   -81.42076
    3     1 S   H    _H1_     3     1.02951    57.85323    33.30655
    4     1 S   H    _H2_     4     1.02829    64.44833   166.50360
    5     1 S   CT   _CA1     5     1.50118   161.52573    87.62987
    6     5 S   HC   _HA1     6     1.09577   105.19662   130.31813
    7     5 S   CO3  _C1_     7     1.53837   112.48451    10.16280
    8     7 S   O2Z  _O11     8     1.26376   114.97114   -41.64180
    9     7 S   O2Z  _O12     9     1.26257   114.97457   137.48371
   10     5 S   CT   _CB1    10     1.53114   107.41726  -111.73219
   11    10 S   HC   HB11    11     1.09820   109.41300   -50.14259
   12    10 S   HC   HB12    12     1.09809   110.46769    66.54377
   13    10 S   CT   _CG1    13     1.52877   112.44937  -171.15347
   14    13 S   HC   HG11    14     1.09603   110.44166   -65.06913
   15    13 S   HC   HG12    15     1.09677   109.84529    54.06226
   16    13 S   C    _CD1    16     1.51784   112.62238   174.55187
   17    16 S   O    _OE1    17     1.22680   123.48343     2.32406
   18    16 S   N    _N2_    18     1.38479   111.24684  -177.72548
   19    18 S   H    _HN2    19     1.01544   118.78323     1.66542
   20    18 S   CT1  _CA2    20     1.46126   124.05370   179.50941
   21    20 S   HC   _HA2    21     1.09729   109.42718    -1.16483
   22    20 S   C    _C2_    22     1.53532   109.36743  -116.74027
   23    22 S   O    _O2_    23     1.23085   122.16390  -153.64545
   24    20 S   CT   _CB2    32     1.53279   110.36512   121.02930
   25    24 S   HC   HB21    33     1.09362   109.13594    48.41524
   26    24 S   HC   HB22    34     1.09392   110.81685   167.70116
   27    22 S   N    _N3_    24     1.38267   113.85181    33.90602
   28    27 S   H    _HN3    25     1.01597   119.40427    -3.22209
   29    24 S   S    _SG2    35     1.82932   110.86017   -73.50141
   30    27 S   CT   _CA3    26     1.45300   123.32216   175.96061
   31    30 S   HC   HA31    27     1.09535   107.23854   -74.50203
   32    30 S   HC   HA32    28     1.09532   108.49545    41.93977
   33    29 S   CT   _C13    36     1.85705   102.04797   156.01849
   34    30 S   CO3  _C3_    29     1.52929   113.94422   164.82873
   35    34 S   O2Z  _O31    30     1.26373   116.01577    11.65964
   36    34 S   O2Z  _O32    31     1.26423   114.45321  -168.50244
   37    33 S   CM   _C11    37     1.51827   110.37280   -77.92806
   38    33 S   CT   _C16    82     1.54371   106.93578   161.55993
   39    38 S   HC   _H32    83     1.09723   112.21798   -62.85250
   40    38 S   HC   _H33    84     1.09740   110.60566   178.30349
   41    38 S   HC   _H34    85     1.09614   112.78467    57.87624
   42    37 S   CMA  _C10    38     1.35814   123.45876   116.14702
   43    42 S   OM   _O22    39     1.26374   128.51521   175.19050
   44    37 S   CT   _C15    78     1.52426   116.31037   -66.64496
   45    44 S   HC   _H29    79     1.09460   110.40457   -70.85696
   46    44 S   HC   _H30    80     1.09480   113.19597   169.06813
   47    44 S   HC   _H31    81     1.09390   111.38038    49.88809
   48    42 S   CM   _C8_    40     1.49245   119.63354    -4.23984
   49    48 S   CM   _C9_    41     1.35445   122.41411     9.23938
   50    48 S   CT   _C14    74     1.53036   117.68353  -168.83271
   51    50 S   HC   _H26    75     1.09584   110.58900   -71.92615
   52    50 S   HC   _H27    76     1.09215   114.03958   167.34102
   53    50 S   HC   _H28    77     1.09665   110.98796    49.39034
   54    33 S   CO4  _C12    42     1.52988   108.12830    47.16129
   55    54 S   O    _O23    43     1.23449   121.01690    65.73366
   56    49 S   CT   _C21    44     1.51653   125.11068   178.15475
   57    56 S   HC   _H43    45     1.09599   110.46669   -33.18279
   58    56 S   HC   _H44    46     1.09692   110.94566  -147.86131
   59    56 S   CT   _C24    47     1.53216   110.90242    89.94653
   60    59 S   HC   _H49    48     1.09612   109.44388   -47.65361
   61    59 S   HC   _H50    49     1.09694   109.77033    69.06744
   62    59 S   CT   _C23    50     1.53257   111.71475  -169.50975
   63    62 S   HC   _H47    51     1.09750   109.66159    53.54760
   64    62 S   HC   _H48    52     1.09677   109.03703   -63.30408
   65    62 S   CT   _C18    53     1.53161   112.55038   175.74223
   66    65 S   HC   _H37    54     1.09607   108.94829   173.27559
   67    65 S   HC   _H38    55     1.09598   109.95707    56.29189
   68    65 S   CZ   _C5_    56     1.47036   111.57693   -66.06155
   69    68 S   CZ   _C4_    57     1.20106   176.74665    34.35232
   70    69 S   CT   _C17    58     1.46926   177.55616     3.13350
   71    70 S   HC   _H35    59     1.09599   110.06500   118.43440
   72    70 S   HC   _H36    60     1.09632   108.97664  -124.68913
   73    70 S   CT   _C22    61     1.53185   112.00513    -4.30198
   74    73 S   HC   _H45    62     1.09787   108.38125  -170.88687
   75    73 S   HC   _H46    63     1.09820   110.08084   -54.76313
   76    73 S   CT   _C19    64     1.53072   112.69612    68.18697
   77    76 S   HC   _H39    65     1.09571   109.59443    55.60954
   78    76 S   HC   _H40    66     1.09511   110.18523   -62.18232
   79    76 S   CZ   _C6_    67     1.46924   111.51603   176.64118
   80    79 S   CZ   _C7_    68     1.20112   178.78759  -173.96083
   81    80 S   CT   _C20    69     1.46262   178.91034    -5.16733
   82    81 S   HC   _H41    70     1.09395   110.80375   -71.99639
   83    81 S   HC   _H42    71     1.09401   110.52405    48.36394
   84    81 S   OH   _O24    72     1.42035   109.85173   167.85300
   85    84 S   HO   _H51    73     0.97251   106.65548   176.86637
  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  11   5   4   3
  16   2   1   1  15   8   3   2   1  13   4   5   2   1   1  11
  13   5   2   1   1   5   1   9   5   4   9   5   4   7   5   4
   5   3   2   5   7   9   5   4   7   5   4   5   3   2   5   5
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    49    54    55    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    48    49    54    55    56    44    45    46    47    38    39    40    41  
   35    36  
   36  
    0  
   42    43    48    49    54    55    50    44    45    46    47    38    39    40    41  
   39    40    41    42    44    49    54    55  
   40    41    54  
   41    54  
   54  
   43    48    49    54    56    50    51    52    53    44    45    46    47  
   48    49    50    44  
   45    46    47    48    54  
   46    47  
   47  
    0  
   49    54    55    56    57    58    59    50    51    52    53  
   54    55    56    57    58    59    60    61    62    50    51    52    53  
   51    52    53    54    56  
   52    53  
   53  
    0  
   55    56    57    58    59  
   56  
   57    58    59    60    61    62    63    64    65  
   58    59    60    61    62  
   59    60    61    62  
   60    61    62    63    64    65    66    67    68  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65    66    67    68    69  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70  
   67    68    69  
   68    69  
   69    70    71    72    73  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81  
   78    79    80  
   79    80  
   80    81    82    83    84  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   69   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   80   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   81   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    54   317.000  1.522
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    48   465.000  1.376
   48    49   549.000  1.340
   48    50   317.000  1.510
   49    54   320.000  1.462
   49    56   317.000  1.510
   54    55   570.000  1.229
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   390.000  1.470
   68    69   985.000  1.221
   69    70   390.000  1.470
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   390.000  1.470
   79    80   985.000  1.221
   80    81   390.000  1.470
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.410
   84    85   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    54    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    54    49    65.00000  118.62400
   33    54    55    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    48    70.00000  123.01800
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    47    35.00000  109.50000
   42    48    49    70.00000  117.34000
   42    48    50    70.00000  124.00000
   48    42    43    65.00000  137.10300
   48    49    54    65.00000  118.96000
   48    49    56    70.00000  124.00000
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   48    50    53    35.00000  109.50000
   49    54    55    80.00000  123.72100
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    70.00000  112.02700
   54    33    37    70.00000  109.06800
   56    49    54    65.00000  116.34900
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    30.00000  179.48800
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  108.50000
   68    65    67    35.00000  108.50000
   68    69    70    30.00000  179.48800
   69    70    71    35.00000  108.50000
   69    70    72    35.00000  108.50000
   69    70    73    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    30.00000  179.48800
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  108.50000
   79    76    78    35.00000  108.50000
   79    80    81    30.00000  179.48800
   80    81    82    35.00000  108.50000
   80    81    83    35.00000  108.50000
   80    81    84    90.00000  111.78800
   81    84    85    55.00000  108.50000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   50    48    49    70.00000  124.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   44    37    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    54    63.00000  111.10000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    54    49   0.65300  1.0 1.0
   29    33    54    49  -0.03850 -1.0 2.0
   29    33    54    49   0.33900  1.0 3.0
   29    33    54    55   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    48   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    47   0.34800  1.0 3.0
   37    33    54    49   0.65300  1.0 1.0
   37    33    54    49  -0.03850 -1.0 2.0
   37    33    54    49   0.33900  1.0 3.0
   37    33    54    55   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42   -48    49   7.00000 -1.0 2.0
   37    42    48    50   7.00000 -1.0 2.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    47   0.00000  1.0 1.0
   42    48    49    54   7.00000 -1.0 2.0
   42    48    49    56   7.00000 -1.0 2.0
   42    48    50    51   0.00000  1.0 1.0
   42    48    50    52   0.00000  1.0 1.0
   42    48    50    53   0.00000  1.0 1.0
   43    42    48    49   7.00000 -1.0 2.0
   43    42    48    50   7.00000 -1.0 2.0
   48    49   -54    33  -0.33500  1.0 1.0
   48    49   -54    33   1.06600 -1.0 2.0
   48    49   -54    33  -0.14000  1.0 3.0
   48    49    54    55   1.00000 -1.0 2.0
   48    49    56    57   0.00000  1.0 1.0
   48    49    56    58   0.00000  1.0 1.0
   48    49    56    59   0.09850  1.0 1.0
   48    49    56    59   0.15250 -1.0 2.0
   48    49    56    59  -0.50650  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.00000  1.0 1.0
   49    48    50    53   0.00000  1.0 1.0
   49    56    59    60   0.15000  1.0 3.0
   49    56    59    61   0.15000  1.0 3.0
   49    56    59    62   0.34400  1.0 1.0
   49    56    59    62   0.09450 -1.0 2.0
   49    56    59    62   0.11100  1.0 3.0
   54    33   -37    42  -0.51250  1.0 1.0
   54    33   -37    42  -0.88800 -1.0 2.0
   54    33   -37    42   0.08850  1.0 3.0
   54    33    37    44   0.17250  1.0 1.0
   54    33    37    44  -0.04100 -1.0 2.0
   54    33    37    44  -0.33850  1.0 3.0
   54    33    38    39  -0.11250  1.0 3.0
   54    33    38    40  -0.11250  1.0 3.0
   54    33    38    41  -0.11250  1.0 3.0
   54    49    56    57   0.15000  1.0 3.0
   54    49    56    58   0.15000  1.0 3.0
   54    49    56    59   0.09700  1.0 1.0
   54    49    56    59   0.15600 -1.0 2.0
   54    49    56    59  -0.50800  1.0 3.0
   56    49    54    33   0.25700  1.0 1.0
   56    49    54    33   0.66200 -1.0 2.0
   56    49    54    33   0.04450  1.0 3.0
   56    49    54    55  -0.64400  1.0 1.0
   56    49    54    55   0.26850 -1.0 2.0
   56    59    62    63   0.15000  1.0 3.0
   56    59    62    64   0.15000  1.0 3.0
   56    59    62    65   0.56750  1.0 1.0
   56    59    62    65  -0.07550 -1.0 2.0
   56    59    62    65   0.20000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   59    62    65    66   0.15000  1.0 3.0
   59    62    65    67   0.15000  1.0 3.0
   59    62    65    68  -0.74000  1.0 1.0
   59    62    65    68   0.24050 -1.0 2.0
   59    62    65    68   0.24650  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   62    65    68    69   0.00000  1.0 1.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    69    70   0.00000  1.0 1.0
   66    65    68    69   0.00000  1.0 1.0
   67    65    68    69   0.00000  1.0 1.0
   68    69    70    71   0.00000  1.0 1.0
   68    69    70    72   0.00000  1.0 1.0
   68    69    70    73   0.00000  1.0 1.0
   69    70    73    74   0.15000  1.0 3.0
   69    70    73    75   0.15000  1.0 3.0
   69    70    73    76  -0.74000  1.0 1.0
   69    70    73    76   0.24050 -1.0 2.0
   69    70    73    76   0.24650  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79  -0.74000  1.0 1.0
   70    73    76    79   0.24050 -1.0 2.0
   70    73    76    79   0.24650  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.00000  1.0 1.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    80    81   0.00000  1.0 1.0
   77    76    79    80   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   79    80    81    82   0.00000  1.0 1.0
   79    80    81    83   0.00000  1.0 1.0
   79    80    81    84   0.00000  1.0 1.0
   80    81    84    85   0.35600  1.0 1.0
   80    81    84    85  -0.10750 -1.0 2.0
   80    81    84    85  -0.54400  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   50    48    49    54   7.00000 -1.0 2.0
   50    48    49    56   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    48   7.00000 -1.0 2.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    54    49   0.65300  1.0 1.0
   38    33    54    49  -0.03850 -1.0 2.0
   38    33    54    49   0.33900  1.0 3.0
   38    33    54    55   0.30150 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   48    43    42    37   1.10000 -1.0 2.0
   42    50    48    49   1.10000 -1.0 2.0
   54    56    49    48   1.10000 -1.0 2.0
   33    49    54    55  10.50000 -1.0 2.0
END
