* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    163    271     494
    1     0 S   NP   _N1_     1    28.87053    93.43770   -20.33794
    2     1 S   H    _HN1     2     1.02784    83.86435   -83.38386
    3     1 S   H    _H1_     3     1.02955   100.34603    24.14821
    4     1 S   H    _H2_     4     1.02844    29.08461   130.78635
    5     1 S   CT   _CA1     5     1.50068   137.23704   160.29624
    6     5 S   HC   _HA1     6     1.09571   105.31245    44.45157
    7     5 S   CO3  _C1_     7     1.53792   112.29524   -75.93728
    8     7 S   O2Z  _O11     8     1.26357   115.08300   -47.56324
    9     7 S   O2Z  _O12     9     1.26197   114.82074   131.81977
   10     5 S   CT   _CB1    10     1.53062   107.48509   162.40983
   11    10 S   HC   HB11    11     1.09820   109.49570   -50.73929
   12    10 S   HC   HB12    12     1.09833   110.32185    65.79881
   13    10 S   CT   _CG1    13     1.53044   112.66212  -171.88811
   14    13 S   HC   HG11    14     1.09562   110.35057   -58.61991
   15    13 S   HC   HG12    15     1.09610   110.23737    60.63451
   16    13 S   C    _CD1    16     1.51746   111.96397  -179.05788
   17    16 S   O    _OE1    17     1.22744   123.09707   -13.09979
   18    16 S   N    _N2_    18     1.38596   111.78845   167.21246
   19    18 S   H    _HN2    19     1.01584   119.18970     2.30724
   20    18 S   CT1  _CA2    20     1.46262   123.23584  -175.72346
   21    20 S   HC   _HA2    21     1.09728   109.35287   -12.35023
   22    20 S   C    _C2_    22     1.53345   108.54611  -128.25830
   23    22 S   O    _O2_    23     1.23013   122.26201  -146.17377
   24    20 S   CT   _CB2    32     1.53481   111.23785   109.42017
   25    24 S   HC   HB21    33     1.09574   109.55414    57.70771
   26    24 S   HC   HB22    34     1.09495   110.52196   176.68223
   27    22 S   N    _N3_    24     1.38521   113.36459    41.23842
   28    27 S   H    _HN3    25     1.01525   118.89707    -0.60263
   29    24 S   S    _SG2    35     1.82749   111.57195   -63.02574
   30    27 S   CT   _CA3    26     1.45442   123.40403   175.11906
   31    30 S   HC   HA31    27     1.09527   109.18219    25.49847
   32    30 S   HC   HA32    28     1.09494   107.13780   142.48785
   33    29 S   CT   _C18    36     1.85140    99.70543   169.85227
   34    33 S   HC   _H7_    37     1.09500   107.46236   -21.33002
   35    30 S   CO3  _C3_    29     1.52925   113.14579   -97.94306
   36    35 S   O2Z  _O31    30     1.26401   115.41556   -44.50136
   37    35 S   O2Z  _O32    31     1.26358   114.98037   136.44535
   38    33 S   CM   _C19    38     1.51051   106.01638    92.50997
   39    38 S   HC   _H21    39     1.09043   115.60895   -71.07868
   40    38 S   CMA  _C20    40     1.34875   126.27709   110.07253
   41    40 S   OM   _O35    41     1.26191   129.47568   178.80728
   42    40 S   CT   _C21    42     1.52454   119.13024    -0.92915
   43    42 S   HC   _H22    43     1.10019   108.76801   110.58870
   44    42 S   HC   _H23    44     1.10107   110.03841  -133.49006
   45    42 S   CT   _C16    45     1.54536   115.16483   -12.43949
   46    45 S   HC   _H6_    46     1.10028   106.72410   -74.46684
   47    45 S   CT   _C15    47     1.53708   109.75450   171.10181
   48    47 S   HC   _H19    48     1.09718   109.53652    58.06847
   49    47 S   HC   _H20    49     1.09636   110.62248   -58.62190
   50    47 S   CT   _C14    50     1.52384   112.14253   178.88689
   51    50 S   HC   _H17    51     1.09606   108.64124   176.77062
   52    50 S   HC   _H18    52     1.09744   109.33021   -67.04604
   53    50 S   CT   _C9_    53     1.53209   111.67945    54.94678
   54    53 S   HC   _H4_    54     1.09485   107.61706    63.52817
   55    53 S   CT   _C8_    55     1.56191   110.32079   -56.67074
   56    55 S   HC   _H3_    56     1.09903   105.59139   -59.27314
   57    55 S   CO4  _C7_    57     1.55048   111.21626  -171.22752
   58    57 S   O    _O33    58     1.23076   123.18292  -139.65406
   59    33 S   CT   _C17    77     1.57790   114.57381  -141.29907
   60    57 S   CT   _C6_    59     1.52530   117.36276    45.38209
   61    60 S   HC   _H11    60     1.09553   108.21301    72.01750
   62    60 S   HC   _H12    61     1.09608   109.20456  -171.74586
   63    59 S   CT   _C22    78     1.55975   107.61749   163.54679
   64    63 S   HC   _H24    79     1.09273   112.70051   173.13339
   65    63 S   HC   _H25    80     1.09442   112.37420    52.74420
   66    63 S   HC   _H26    81     1.09426   111.52172   -66.36739
   67    60 S   CT   _C5_    62     1.51939   109.37928   -50.22496
   68    67 S   CO4  _C13    63     1.51804   116.36418   167.86394
   69    68 S   O    _O34    64     1.22396   124.57387    43.11354
   70    67 S   CT   _C4_    73     1.54007   110.84253   -70.00981
   71    70 S   HC   _H8_    74     1.09415   112.60626    57.06534
   72    70 S   HC   _H9_    75     1.09693   110.25796   -62.49132
   73    70 S   HC   _H10    76     1.09498   112.38223   178.90890
   74    68 S   CT   _C12    65     1.51757   111.54822  -139.18527
   75    74 S   HC   _H15    66     1.09349   108.93397   116.60581
   76    74 S   HC   _H16    67     1.09208   111.05297  -121.03390
   77    74 S   CT   _C11    68     1.53422   102.95897    -1.52880
   78    77 S   HC   _H13    69     1.09442   110.97479   147.96576
   79    77 S   HC   _H14    70     1.09539   111.01198   -92.26758
   80    53 S   CT   _C10    71     1.53169   111.66713  -177.58403
   81    80 S   HC   _H5_    72     1.10327   106.95223    64.87779
  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   9   5   4   3
  18   7   2   1   1  10   4   8   4  11   5   4  16   7  11   6
   5  12   5   4  17   8  15   6  10   5   6  13   5   4   3   2
   1   1  14  13   6   7   3   2   1   7   5   4   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    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    55    59    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    47    53    55    56    57    59    63    64    65    66  
   38    39    40    45    55    59    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    55    59    63  
   40    41    42    59  
   41    42    43    44    45    46    47    59  
   42    43    44    45  
   43    44    45    46    47    48    49    50    55    59    63  
   44    45    46    47    59  
   45    46    47    59  
   46    47    48    49    50    51    52    53    55    56    57    59    63    64    65    66  
   47    48    49    50    55    59    63  
   48    49    50    51    52    53    54    55    80    59    63  
   49    50    51    52    53    59  
   50    51    52    53    59  
   51    52    53    54    55    56    57    67    77    80    81    59  
   52    53    54    55    80  
   53    54    55    80  
   54    55    56    57    58    60    67    68    74    77    78    79    80    81    70    59    63  
   55    56    57    67    77    80    81    59  
   56    57    58    60    61    62    67    77    80    81    59    63    64    65    66  
   57    58    60    80    59    63  
   58    60    61    62    67    68    80    70    59    63  
   60    61    62    67    59  
   63    64    65    66    60    80  
   61    62    67    68    69    74    77    80    81    70    71    72    73  
   62    67    68    80    70  
   67    68    80    70  
   64    65    66  
   65    66  
   66  
    0  
   68    69    74    75    76    77    78    79    80    81    70    71    72    73  
   69    74    75    76    77    78    79    80    81    70    71    72    73  
   74    75    76    77    80    70  
   71    72    73    74    77    80    81  
   72    73    80  
   73    80  
   80  
   75    76    77    78    79    80    81  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81  
   79    80    81  
   80    81  
   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   0.107500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    59   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    59   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    80   268.000  1.529
   55    56   340.000  1.090
   55    57   317.000  1.522
   55    59   268.000  1.529
   57    58   570.000  1.229
   57    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   317.000  1.522
   67    80   268.000  1.529
   67    70   268.000  1.529
   68    69   570.000  1.229
   68    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   59    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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  112.20000
   29    33    59    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    59    45    58.35000  112.70000
   33    59    55    58.35000  112.70000
   33    59    63    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    45.00000  110.52000
   40    42    45    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    59    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    50    58.35000  112.70000
   45    59    55    58.35000  112.70000
   45    59    63    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    58.35000  112.70000
   50    53    80    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    63.00000  111.10000
   53    55    59    58.35000  112.70000
   53    80    67    58.35000  112.70000
   53    80    77    58.35000  112.70000
   53    80    81    37.50000  110.70000
   55    53    54    37.50000  110.70000
   55    57    58    80.00000  120.40000
   55    57    60    70.00000  116.00000
   55    59    63    58.35000  112.70000
   57    55    56    35.00000  109.50000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    67    63.00000  111.10000
   60    57    58    80.00000  120.40000
   60    67    68    63.00000  111.10000
   60    67    80    58.35000  112.70000
   60    67    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    68    69    80.00000  120.40000
   67    68    74    70.00000  116.00000
   67    80    77    58.35000  112.70000
   67    80    81    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    63.00000  111.10000
   74    68    69    80.00000  120.40000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    53    54    37.50000  110.70000
   80    53    55    58.35000  112.70000
   80    67    68    63.00000  111.10000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   70    67    68    63.00000  111.10000
   70    67    80    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   59    33    34    37.50000  110.70000
   59    33    38    70.00000  112.02700
   59    45    46    37.50000  110.70000
   59    45    47    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    55    57    63.00000  111.10000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    59    45   0.44750  1.0 1.0
   29    33    59    45  -0.17800 -1.0 2.0
   29    33    59    45   0.20200  1.0 3.0
   29    33    59    55   0.44750  1.0 1.0
   29    33    59    55  -0.17800 -1.0 2.0
   29    33    59    55   0.20200  1.0 3.0
   29    33    59    63   0.44750  1.0 1.0
   29    33    59    63  -0.17800 -1.0 2.0
   29    33    59    63   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    59    63    64   0.15000  1.0 3.0
   33    59    63    65   0.15000  1.0 3.0
   33    59    63    66   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    59    45   0.15000  1.0 3.0
   34    33    59    55   0.15000  1.0 3.0
   34    33    59    63   0.15000  1.0 3.0
   38    33    59    45   0.34400  1.0 1.0
   38    33    59    45   0.09450 -1.0 2.0
   38    33    59    45   0.11100  1.0 3.0
   38    33    59    55   0.34400  1.0 1.0
   38    33    59    55   0.09450 -1.0 2.0
   38    33    59    55   0.11100  1.0 3.0
   38    33    59    63   0.34400  1.0 1.0
   38    33    59    63   0.09450 -1.0 2.0
   38    33    59    63   0.11100  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    47   0.34400  1.0 1.0
   40    42    45    47   0.09450 -1.0 2.0
   40    42    45    47   0.11100  1.0 3.0
   40    42    45    59   0.34400  1.0 1.0
   40    42    45    59   0.09450 -1.0 2.0
   40    42    45    59   0.11100  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   42    45    47    48   0.15000  1.0 3.0
   42    45    47    49   0.15000  1.0 3.0
   42    45    47    50   0.56750  1.0 1.0
   42    45    47    50  -0.07550 -1.0 2.0
   42    45    47    50   0.20000  1.0 3.0
   42    45   -59    33   0.56750  1.0 1.0
   42    45   -59    33  -0.07550 -1.0 2.0
   42    45   -59    33   0.20000  1.0 3.0
   42    45    59    55   0.56750  1.0 1.0
   42    45    59    55  -0.07550 -1.0 2.0
   42    45    59    55   0.20000  1.0 3.0
   42    45    59    63   0.56750  1.0 1.0
   42    45    59    63  -0.07550 -1.0 2.0
   42    45    59    63   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    59   0.15000  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    59   0.15000  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   0.15000  1.0 3.0
   45    47    50    53   0.56750  1.0 1.0
   45    47    50    53  -0.07550 -1.0 2.0
   45    47    50    53   0.20000  1.0 3.0
   45    59    63    64   0.15000  1.0 3.0
   45    59    63    65   0.15000  1.0 3.0
   45    59    63    66   0.15000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    59    33   0.15000  1.0 3.0
   46    45    59    55   0.15000  1.0 3.0
   46    45    59    63   0.15000  1.0 3.0
   47    45    59    33   0.56750  1.0 1.0
   47    45    59    33  -0.07550 -1.0 2.0
   47    45    59    33   0.20000  1.0 3.0
   47    45    59    55   0.56750  1.0 1.0
   47    45    59    55  -0.07550 -1.0 2.0
   47    45    59    55   0.20000  1.0 3.0
   47    45    59    63   0.56750  1.0 1.0
   47    45    59    63  -0.07550 -1.0 2.0
   47    45    59    63   0.20000  1.0 3.0
   47    50    53    54   0.15000  1.0 3.0
   47    50   -53    55   0.56750  1.0 1.0
   47    50   -53    55  -0.07550 -1.0 2.0
   47    50   -53    55   0.20000  1.0 3.0
   47    50    53    80   0.56750  1.0 1.0
   47    50    53    80  -0.07550 -1.0 2.0
   47    50    53    80   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    53    55    56   0.15000  1.0 3.0
   50    53    55    57  -0.95700  1.0 1.0
   50    53    55    57  -0.18200 -1.0 2.0
   50    53    55    57   0.29450  1.0 3.0
   50    53    55    59   0.56750  1.0 1.0
   50    53    55    59  -0.07550 -1.0 2.0
   50    53    55    59   0.20000  1.0 3.0
   50    53    80    67   0.56750  1.0 1.0
   50    53    80    67  -0.07550 -1.0 2.0
   50    53    80    67   0.20000  1.0 3.0
   50    53    80    77   0.56750  1.0 1.0
   50    53    80    77  -0.07550 -1.0 2.0
   50    53    80    77   0.20000  1.0 3.0
   50    53    80    81   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    80   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    80   0.15000  1.0 3.0
   53    55    57    58   0.30150 -1.0 2.0
   53    55    57    60   0.60050  1.0 1.0
   53    55    57    60   0.05600 -1.0 2.0
   53    55    57    60   0.26150  1.0 3.0
   53    55    59    33   0.56750  1.0 1.0
   53    55    59    33  -0.07550 -1.0 2.0
   53    55    59    33   0.20000  1.0 3.0
   53    55   -59    45   0.56750  1.0 1.0
   53    55   -59    45  -0.07550 -1.0 2.0
   53    55   -59    45   0.20000  1.0 3.0
   53    55    59    63   0.56750  1.0 1.0
   53    55    59    63  -0.07550 -1.0 2.0
   53    55    59    63   0.20000  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57  -0.11250  1.0 3.0
   54    53    55    59   0.15000  1.0 3.0
   54    53    80    67   0.15000  1.0 3.0
   54    53    80    77   0.15000  1.0 3.0
   54    53    80    81   0.15000  1.0 3.0
   55    53    80    67   0.56750  1.0 1.0
   55    53    80    67  -0.07550 -1.0 2.0
   55    53    80    67   0.20000  1.0 3.0
   55    53    80    77   0.56750  1.0 1.0
   55    53    80    77  -0.07550 -1.0 2.0
   55    53    80    77   0.20000  1.0 3.0
   55    53    80    81   0.15000  1.0 3.0
   55    57    60    61   0.00000  1.0 1.0
   55    57    60    62   0.00000  1.0 1.0
   55    57   -60    67   0.60050  1.0 1.0
   55    57   -60    67   0.05600 -1.0 2.0
   55    57   -60    67   0.26150  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    65   0.15000  1.0 3.0
   55    59    63    66   0.15000  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    60   0.00000  1.0 1.0
   56    55    59    33   0.15000  1.0 3.0
   56    55    59    45   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   57    55    59    33  -0.95700  1.0 1.0
   57    55    59    33  -0.18200 -1.0 2.0
   57    55    59    33   0.29450  1.0 3.0
   57    55    59    45  -0.95700  1.0 1.0
   57    55    59    45  -0.18200 -1.0 2.0
   57    55    59    45   0.29450  1.0 3.0
   57    55    59    63  -0.95700  1.0 1.0
   57    55    59    63  -0.18200 -1.0 2.0
   57    55    59    63   0.29450  1.0 3.0
   57    60    67    68   0.11950  1.0 1.0
   57    60    67    68   0.20300 -1.0 2.0
   57    60    67    68  -0.70800  1.0 3.0
   57    60    67    80  -0.95700  1.0 1.0
   57    60    67    80  -0.18200 -1.0 2.0
   57    60    67    80   0.29450  1.0 3.0
   57    60    67    70  -0.95700  1.0 1.0
   57    60    67    70  -0.18200 -1.0 2.0
   57    60    67    70   0.29450  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    67   0.30150 -1.0 2.0
   60    67    68    69   0.30150 -1.0 2.0
   60    67    68    74   0.60050  1.0 1.0
   60    67    68    74   0.05600 -1.0 2.0
   60    67    68    74   0.26150  1.0 3.0
   60    67   -80    53   0.56750  1.0 1.0
   60    67   -80    53  -0.07550 -1.0 2.0
   60    67   -80    53   0.20000  1.0 3.0
   60    67    80    77   0.56750  1.0 1.0
   60    67    80    77  -0.07550 -1.0 2.0
   60    67    80    77   0.20000  1.0 3.0
   60    67    80    81   0.15000  1.0 3.0
   60    67    70    71   0.15000  1.0 3.0
   60    67    70    72   0.15000  1.0 3.0
   60    67    70    73   0.15000  1.0 3.0
   61    60    67    68  -0.11250  1.0 3.0
   61    60    67    80   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   62    60    67    68  -0.11250  1.0 3.0
   62    60    67    80   0.15000  1.0 3.0
   62    60    67    70   0.15000  1.0 3.0
   67    68    74    75   0.00000  1.0 1.0
   67    68    74    76   0.00000  1.0 1.0
   67    68   -74    77   0.60050  1.0 1.0
   67    68   -74    77   0.05600 -1.0 2.0
   67    68   -74    77   0.26150  1.0 3.0
   68    67    80    53  -0.95700  1.0 1.0
   68    67    80    53  -0.18200 -1.0 2.0
   68    67    80    53   0.29450  1.0 3.0
   68    67   -80    77  -0.95700  1.0 1.0
   68    67   -80    77  -0.18200 -1.0 2.0
   68    67   -80    77   0.29450  1.0 3.0
   68    67    80    81  -0.11250  1.0 3.0
   68    67    70    71  -0.11250  1.0 3.0
   68    67    70    72  -0.11250  1.0 3.0
   68    67    70    73  -0.11250  1.0 3.0
   68    74    77    78  -0.11250  1.0 3.0
   68    74    77    79  -0.11250  1.0 3.0
   68    74   -77    80  -0.95700  1.0 1.0
   68    74   -77    80  -0.18200 -1.0 2.0
   68    74   -77    80   0.29450  1.0 3.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    76   0.00000  1.0 1.0
   69    68    74    77   0.30150 -1.0 2.0
   74    77    80    53   0.56750  1.0 1.0
   74    77    80    53  -0.07550 -1.0 2.0
   74    77    80    53   0.20000  1.0 3.0
   74    77   -80    67   0.56750  1.0 1.0
   74    77   -80    67  -0.07550 -1.0 2.0
   74    77   -80    67   0.20000  1.0 3.0
   74    77    80    81   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   78    77    80    53   0.15000  1.0 3.0
   78    77    80    67   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   79    77    80    53   0.15000  1.0 3.0
   79    77    80    67   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   80    53    55    56   0.15000  1.0 3.0
   80    53   -55    57  -0.95700  1.0 1.0
   80    53   -55    57  -0.18200 -1.0 2.0
   80    53   -55    57   0.29450  1.0 3.0
   80    53    55    59   0.56750  1.0 1.0
   80    53    55    59  -0.07550 -1.0 2.0
   80    53    55    59   0.20000  1.0 3.0
   80    67    68    69   0.30150 -1.0 2.0
   80    67   -68    74   0.60050  1.0 1.0
   80    67   -68    74   0.05600 -1.0 2.0
   80    67   -68    74   0.26150  1.0 3.0
   80    67    70    71   0.15000  1.0 3.0
   80    67    70    72   0.15000  1.0 3.0
   80    67    70    73   0.15000  1.0 3.0
   70    67    68    69   0.30150 -1.0 2.0
   70    67    68    74   0.60050  1.0 1.0
   70    67    68    74   0.05600 -1.0 2.0
   70    67    68    74   0.26150  1.0 3.0
   70    67    80    53   0.56750  1.0 1.0
   70    67    80    53  -0.07550 -1.0 2.0
   70    67    80    53   0.20000  1.0 3.0
   70    67    80    77   0.56750  1.0 1.0
   70    67    80    77  -0.07550 -1.0 2.0
   70    67    80    77   0.20000  1.0 3.0
   70    67    80    81   0.15000  1.0 3.0
   59    33    38    39   0.00000  1.0 1.0
   59    33   -38    40   0.09850  1.0 1.0
   59    33   -38    40   0.15250 -1.0 2.0
   59    33   -38    40  -0.50650  1.0 3.0
   59    45    47    48   0.15000  1.0 3.0
   59    45    47    49   0.15000  1.0 3.0
   59    45   -47    50   0.56750  1.0 1.0
   59    45   -47    50  -0.07550 -1.0 2.0
   59    45   -47    50   0.20000  1.0 3.0
   59    55    57    58   0.30150 -1.0 2.0
   59    55    57    60   0.60050  1.0 1.0
   59    55    57    60   0.05600 -1.0 2.0
   59    55    57    60   0.26150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   55    60    57    58  10.50000 -1.0 2.0
   67    74    68    69  10.50000 -1.0 2.0
END
