* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    168    260     497
    1     0 S   NP   _N1_     1    28.95619    94.10942   -20.42856
    2     1 S   H    _HN1     2     1.02783    82.65606   -85.80863
    3     1 S   H    _H1_     3     1.02959    96.83854    21.84641
    4     1 S   H    _H2_     4     1.02844    32.46381   133.09763
    5     1 S   CT   _CA1     5     1.50074   141.39978   157.47971
    6     5 S   HC   _HA1     6     1.09567   105.33203    45.60022
    7     5 S   CO3  _C1_     7     1.53832   112.23795   -74.85810
    8     7 S   O2Z  _O11     8     1.26358   115.03445   -47.83248
    9     7 S   O2Z  _O12     9     1.26219   114.87567   131.47266
   10     5 S   CT   _CB1    10     1.53067   107.47905   163.63978
   11    10 S   HC   HB11    11     1.09820   109.61304   -49.95914
   12    10 S   HC   HB12    12     1.09836   110.28283    66.62444
   13    10 S   CT   _CG1    13     1.53033   112.60419  -171.04808
   14    13 S   HC   HG11    14     1.09604   110.36416   -57.60591
   15    13 S   HC   HG12    15     1.09608   110.22247    61.68341
   16    13 S   C    _CD1    16     1.51746   111.97952  -177.84314
   17    16 S   O    _OE1    17     1.22737   123.16854   -10.63961
   18    16 S   N    _N2_    18     1.38593   111.70942   169.19996
   19    18 S   H    _HN2    19     1.01581   119.14370     3.26315
   20    18 S   CT1  _CA2    20     1.46316   123.25199  -173.86007
   21    20 S   HC   _HA2    21     1.09721   109.39534   -14.27221
   22    20 S   C    _C2_    22     1.53308   108.56609  -130.34513
   23    22 S   O    _O2_    23     1.23002   122.26895  -146.30177
   24    20 S   CT   _CB2    32     1.53531   110.90302   107.50069
   25    24 S   HC   HB21    33     1.09440   109.06980    58.03104
   26    24 S   HC   HB22    34     1.09494   110.91091   176.47841
   27    22 S   N    _N3_    24     1.38522   113.33281    41.11611
   28    27 S   H    _HN3    25     1.01528   118.89478    -0.54140
   29    24 S   S    _SG2    35     1.82953   111.31880   -63.61556
   30    27 S   CT   _CA3    26     1.45443   123.39914   175.10039
   31    30 S   HC   HA31    27     1.09527   109.17860    25.47706
   32    30 S   HC   HA32    28     1.09494   107.13483   142.47133
   33    29 S   CT   _C11    36     1.84486   100.20444   143.90042
   34    33 S   HC   _H3_    37     1.09331   105.64764   -36.28128
   35    30 S   CO3  _C3_    29     1.52930   113.16140   -97.95991
   36    35 S   O2Z  _O31    30     1.26399   115.42504   -44.02466
   37    35 S   O2Z  _O32    31     1.26359   114.96954   136.92371
   38    33 S   CM   _C10    38     1.51152   108.39522    81.84640
   39    38 S   HC   _H19    39     1.09190   115.37388    43.09953
   40    33 S   CT   _C12    58     1.54935   113.29216  -152.98822
   41    40 S   HC   _H4_    59     1.10129   106.29556  -175.62498
   42    38 S   CMA  _C9_    40     1.35425   127.95118  -136.71333
   43    42 S   OM   _O37    41     1.26319   128.61017   179.05085
   44    40 S   CT   _C16    60     1.54583   114.24330    63.82756
   45    44 S   HC   _H7_    61     1.09512   111.26277   -49.85498
   46    40 S   CT   _C13    72     1.53512   117.75105   -55.10499
   47    46 S   HC   _H5_    73     1.09483   112.10356    46.81725
   48    42 S   CT   _C8_    42     1.53153   120.17450    -3.88136
   49    48 S   HC   _H17    43     1.10098   110.79368  -142.83603
   50    48 S   HC   _H18    44     1.09559   109.69057   -28.84091
   51    44 S   CT   _C17    62     1.51051   115.31949    79.15051
   52    51 S   HC   _H22    63     1.09245   112.46038   -37.54710
   53    51 S   HC   _H23    64     1.09517   110.47266  -159.69371
   54    46 S   OH   _O36    74     1.41604   111.61323   -75.14596
   55    54 S   HO   _H31    75     0.97209   107.56370  -175.94952
   56    48 S   CT   _C7_    45     1.53674   112.93099    94.38649
   57    56 S   HC   _H15    46     1.09556   110.33227   -55.47872
   58    56 S   HC   _H16    47     1.09740   109.22973    61.23953
   59    51 S   CM   _C18    65     1.49468   101.45749    84.29206
   60    56 S   CT   _C6_    48     1.53219   113.23924  -178.32789
   61    60 S   HC   _H13    49     1.09670   109.71240   -55.08385
   62    60 S   HC   _H14    50     1.09716   108.11838  -171.13862
   63    59 S   OS   _O35    66     1.39115   112.75784    17.59256
   64    59 S   CM   _C19    76     1.34066   126.83982  -158.83934
   65    64 S   HC   _H24    77     1.08849   117.86039   177.03555
   66    60 S   CT   _C5_    51     1.52954   113.21779    68.06822
   67    66 S   HC   _H11    52     1.09416   110.31911   -64.01102
   68    66 S   HC   _H12    53     1.09615   109.93176    54.16005
   69    44 S   CT   _C15    67     1.52343   103.48431  -169.04413
   70    69 S   HC   _H6_    68     1.09561   112.91232   151.02595
   71    64 S   CT   _C20    78     1.50200   126.16235    -2.34251
   72    71 S   HC   _H25    79     1.09662   108.24155   111.58267
   73    71 S   HC   _H26    80     1.09507   111.37820    -5.87997
   74    66 S   CT   _C4_    54     1.52079   111.50191   175.38196
   75    74 S   HC   _H8_    55     1.09460   111.04880   -60.02711
   76    74 S   HC   _H9_    56     1.09438   110.22381  -179.73386
   77    74 S   HC   _H10    57     1.09466   110.97265    60.57627
   78    69 S   CT   _C14    69     1.52915   106.58298    27.28866
   79    78 S   HC   _H20    70     1.09594   110.59334   115.57943
   80    78 S   HC   _H21    71     1.09604   112.06433  -124.78700
   81    71 S   CT   _C21    81     1.53092   111.48238  -127.92726
   82    81 S   HC   _H27    82     1.09759   109.73227   -57.92555
   83    81 S   HC   _H28    83     1.09756   109.80488    59.12615
   84    81 S   CT   _C22    84     1.52625   111.22537  -179.36727
   85    84 S   HC   _H29    85     1.09725   109.43671    56.56052
   86    84 S   HC   _H30    86     1.09707   109.38729   -60.68282
   87    84 S   CO3  _C23    87     1.53196   115.41893   177.86990
   88    87 S   O2Z  _O34    88     1.26540   114.01565  -179.66662
   89    87 S   O2Z  _O33    89     1.26123   116.69898     0.21850
  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
  16   7   2   1   1  11   4  18   8   8   4  15   9  10   6   9
   5   4  10   5   4   5   1   9   5   4  10   9   5   4   8   9
   4   6   5   4   4   3   9   5   4   3   2   1   1   2   1   1
   8   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    40    41    44    45    51    69    78    46    47    54  
   38    39    42    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    49    50    56    40    41    44    46  
   42    43    48    40  
   41    44    45    51    52    53    59    63    69    70    78    79    80    46    47    54    55    42  
   44    45    51    69    78    46    47    54  
   43    48    49    50    56    57    58    60  
   48    49    50    56  
   45    51    52    53    59    63    69    70    78    79    80    46    47    54    64  
   51    52    53    59    63    69    70    78    46  
   47    54    55    51    63    69    70    78    79    80  
   54    55    69    78    79    80  
   49    50    56    57    58    60    61    62    66  
   50    56    57    58    60  
   56    57    58    60  
   52    53    59    63    69    70    78    64    65    71  
   53    59    63    69    64  
   59    63    69    64  
   55    69    78    79    80  
   78  
   57    58    60    61    62    66    67    68    74  
   58    60    61    62    66  
   60    61    62    66  
   63    69    70    78    64    65    71    72    73    81  
   61    62    66    67    68    74    75    76    77  
   62    66    67    68    74  
   66    67    68    74  
   69    70    78    79    80    64    65    71  
   65    71    72    73    81    82    83    84    69  
   71    72    73    81  
   67    68    74    75    76    77  
   68    74    75    76    77  
   74    75    76    77  
   70    78    79    80  
   78    79    80  
   72    73    81    82    83    84    85    86    87  
   73    81    82    83    84  
   81    82    83    84  
   75    76    77  
   76    77  
   77  
    0  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    69   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   317.000  1.510
   59    63   440.000  1.360
   59    64   549.000  1.340
   63    69   320.000  1.410
   69    70   340.000  1.090
   69    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    46   268.000  1.529
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    55   553.000  0.945
   64    65   340.000  1.080
   64    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   317.000  1.522
   87    88   656.000  1.250
   87    89   656.000  1.250
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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    46    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    48    49    45.00000  110.52000
   42    48    50    45.00000  110.52000
   42    48    56    70.00000  112.02700
   48    42    43    85.00000  112.85300
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    60    58.35000  112.70000
   50    48    49    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    50    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    66    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    74    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    77    37.50000  110.70000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    51    58.35000  112.70000
   40    44    69    58.35000  112.70000
   40    46    78    58.35000  112.70000
   40    46    47    37.50000  110.70000
   40    46    54    50.00000  109.50000
   44    40    41    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    59    70.00000  112.02700
   44    69    63    50.00000  109.50000
   44    69    70    37.50000  110.70000
   44    69    78    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    59    63    85.00000  112.85300
   51    59    64    70.00000  124.00000
   53    51    52    33.00000  107.80000
   59    51    52    35.00000  109.50000
   59    51    53    35.00000  109.50000
   59    63    69    90.00000  111.18400
   59    64    65    35.00000  120.00000
   59    64    71    70.00000  124.00000
   63    69    70    35.00000  109.50000
   63    69    78    50.00000  109.50000
   69    44    45    37.50000  110.70000
   69    44    51    58.35000  112.70000
   69    78    79    37.50000  110.70000
   69    78    80    37.50000  110.70000
   69    78    46    58.35000  112.70000
   78    69    70    37.50000  110.70000
   78    46    47    37.50000  110.70000
   78    46    54    50.00000  109.50000
   80    78    79    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    78    79    37.50000  110.70000
   46    78    80    37.50000  110.70000
   46    54    55    55.00000  108.50000
   54    46    47    35.00000  109.50000
   64    59    63    80.00000  120.01400
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    81    70.00000  112.02700
   71    64    65    35.00000  117.00000
   71    81    82    37.50000  110.70000
   71    81    83    37.50000  110.70000
   71    81    84    58.35000  112.70000
   73    71    72    33.00000  107.80000
   81    71    72    37.50000  110.70000
   81    71    73    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    70.00000  109.69300
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    70.00000  117.00000
   84    87    89    70.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    80.00000  126.00000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    51   0.56750  1.0 1.0
   33    40    44    51  -0.07550 -1.0 2.0
   33    40    44    51   0.20000  1.0 3.0
   33    40    44    69   0.56750  1.0 1.0
   33    40    44    69  -0.07550 -1.0 2.0
   33    40    44    69   0.20000  1.0 3.0
   33    40    46    78   0.56750  1.0 1.0
   33    40    46    78  -0.07550 -1.0 2.0
   33    40    46    78   0.20000  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    54   0.86500  1.0 1.0
   33    40    46    54  -0.17500 -1.0 2.0
   33    40    46    54   0.20800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    46   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    46   0.34400  1.0 1.0
   38    33    40    46   0.09450 -1.0 2.0
   38    33    40    46   0.11100  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.00000  1.0 1.0
   38    42    48    56   0.09850  1.0 1.0
   38    42    48    56   0.15250 -1.0 2.0
   38    42    48    56  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    48    56    57   0.15000  1.0 3.0
   42    48    56    58   0.15000  1.0 3.0
   42    48    56    60   0.34400  1.0 1.0
   42    48    56    60   0.09450 -1.0 2.0
   42    48    56    60   0.11100  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    56   0.09700  1.0 1.0
   43    42    48    56   0.15600 -1.0 2.0
   43    42    48    56  -0.50800  1.0 3.0
   48    56    60    61   0.15000  1.0 3.0
   48    56    60    62   0.15000  1.0 3.0
   48    56    60    66   0.56750  1.0 1.0
   48    56    60    66  -0.07550 -1.0 2.0
   48    56    60    66   0.20000  1.0 3.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    58   0.15000  1.0 3.0
   49    48    56    60   0.15000  1.0 3.0
   50    48    56    57   0.15000  1.0 3.0
   50    48    56    58   0.15000  1.0 3.0
   50    48    56    60   0.15000  1.0 3.0
   56    60    66    67   0.15000  1.0 3.0
   56    60    66    68   0.15000  1.0 3.0
   56    60    66    74   0.56750  1.0 1.0
   56    60    66    74  -0.07550 -1.0 2.0
   56    60    66    74   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    66   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    66   0.15000  1.0 3.0
   60    66    74    75   0.15000  1.0 3.0
   60    66    74    76   0.15000  1.0 3.0
   60    66    74    77   0.15000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    74   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    74   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    77   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    77   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    59   0.34400  1.0 1.0
   40    44    51    59   0.09450 -1.0 2.0
   40    44    51    59   0.11100  1.0 3.0
   40    44    69    63   0.62750  1.0 1.0
   40    44    69    63  -0.30950 -1.0 2.0
   40    44    69    63   0.27300  1.0 3.0
   40    44    69    70   0.15000  1.0 3.0
   40    44   -69    78   0.56750  1.0 1.0
   40    44   -69    78  -0.07550 -1.0 2.0
   40    44   -69    78   0.20000  1.0 3.0
   40    46    54    55  -0.11600  1.0 1.0
   40    46    54    55  -0.09450 -1.0 2.0
   40    46    54    55   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    44    69   0.15000  1.0 3.0
   41    40    46    78   0.15000  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    54   0.23400  1.0 3.0
   44    40   -46    78   0.56750  1.0 1.0
   44    40   -46    78  -0.07550 -1.0 2.0
   44    40   -46    78   0.20000  1.0 3.0
   44    40    46    47   0.15000  1.0 3.0
   44    40    46    54   0.86500  1.0 1.0
   44    40    46    54  -0.17500 -1.0 2.0
   44    40    46    54   0.20800  1.0 3.0
   44    51   -59    63   0.09700  1.0 1.0
   44    51   -59    63   0.15600 -1.0 2.0
   44    51   -59    63  -0.50800  1.0 3.0
   44    51    59    64   0.09850  1.0 1.0
   44    51    59    64   0.15250 -1.0 2.0
   44    51    59    64  -0.50650  1.0 3.0
   44    69    78    79   0.15000  1.0 3.0
   44    69    78    80   0.15000  1.0 3.0
   44    69   -78    46   0.56750  1.0 1.0
   44    69   -78    46  -0.07550 -1.0 2.0
   44    69   -78    46   0.20000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    59   0.15000  1.0 3.0
   45    44    69    63   0.23400  1.0 3.0
   45    44    69    70   0.15000  1.0 3.0
   45    44    69    78   0.15000  1.0 3.0
   51    44   -69    63   0.62750  1.0 1.0
   51    44   -69    63  -0.30950 -1.0 2.0
   51    44   -69    63   0.27300  1.0 3.0
   51    44    69    70   0.15000  1.0 3.0
   51    44    69    78   0.56750  1.0 1.0
   51    44    69    78  -0.07550 -1.0 2.0
   51    44    69    78   0.20000  1.0 3.0
   51    59   -63    69   2.00000 -1.0 2.0
   51    59    64    65   7.00000 -1.0 2.0
   51    59    64    71   7.00000 -1.0 2.0
   52    51    59    63   0.00000  1.0 1.0
   52    51    59    64   0.00000  1.0 1.0
   53    51    59    63   0.00000  1.0 1.0
   53    51    59    64   0.00000  1.0 1.0
   59    63   -69    44  -0.46850  1.0 1.0
   59    63   -69    44   0.09300 -1.0 2.0
   59    63   -69    44  -0.12850  1.0 3.0
   59    63    69    70   0.08050  1.0 3.0
   59    63    69    78  -0.46850  1.0 1.0
   59    63    69    78   0.09300 -1.0 2.0
   59    63    69    78  -0.12850  1.0 3.0
   59    64    71    72   0.00000  1.0 1.0
   59    64    71    73   0.00000  1.0 1.0
   59    64    71    81   0.09850  1.0 1.0
   59    64    71    81   0.15250 -1.0 2.0
   59    64    71    81  -0.50650  1.0 3.0
   63    59    64    65   7.00000 -1.0 2.0
   63    59    64    71   7.00000 -1.0 2.0
   63    69    78    79   0.23400  1.0 3.0
   63    69    78    80   0.23400  1.0 3.0
   63    69    78    46   0.62750  1.0 1.0
   63    69    78    46  -0.30950 -1.0 2.0
   63    69    78    46   0.27300  1.0 3.0
   69    44    51    52   0.15000  1.0 3.0
   69    44    51    53   0.15000  1.0 3.0
   69    44   -51    59   0.34400  1.0 1.0
   69    44   -51    59   0.09450 -1.0 2.0
   69    44   -51    59   0.11100  1.0 3.0
   69    78   -46    40   0.56750  1.0 1.0
   69    78   -46    40  -0.07550 -1.0 2.0
   69    78   -46    40   0.20000  1.0 3.0
   69    78    46    47   0.15000  1.0 3.0
   69    78    46    54   0.86500  1.0 1.0
   69    78    46    54  -0.17500 -1.0 2.0
   69    78    46    54   0.20800  1.0 3.0
   70    69    78    79   0.15000  1.0 3.0
   70    69    78    80   0.15000  1.0 3.0
   70    69    78    46   0.15000  1.0 3.0
   78    46    54    55  -0.11600  1.0 1.0
   78    46    54    55  -0.09450 -1.0 2.0
   78    46    54    55   0.21250  1.0 3.0
   79    78    46    40   0.15000  1.0 3.0
   79    78    46    47   0.15000  1.0 3.0
   79    78    46    54   0.23400  1.0 3.0
   80    78    46    40   0.15000  1.0 3.0
   80    78    46    47   0.15000  1.0 3.0
   80    78    46    54   0.23400  1.0 3.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    51   0.56750  1.0 1.0
   46    40    44    51  -0.07550 -1.0 2.0
   46    40    44    51   0.20000  1.0 3.0
   46    40   -44    69   0.56750  1.0 1.0
   46    40   -44    69  -0.07550 -1.0 2.0
   46    40   -44    69   0.20000  1.0 3.0
   47    46    54    55   0.19450  1.0 3.0
   64    59    63    69  -2.26850  1.0 1.0
   64    59    63    69   3.39050 -1.0 2.0
   64    71    81    82   0.15000  1.0 3.0
   64    71    81    83   0.15000  1.0 3.0
   64    71    81    84   0.34400  1.0 1.0
   64    71    81    84   0.09450 -1.0 2.0
   64    71    81    84   0.11100  1.0 3.0
   65    64    71    72   0.33100  1.0 3.0
   65    64    71    73   0.33100  1.0 3.0
   65    64    71    81   0.00000  1.0 1.0
   71    81    84    85   0.15000  1.0 3.0
   71    81    84    86   0.15000  1.0 3.0
   71    81    84    87  -1.63150  1.0 1.0
   71    81    84    87  -0.43550 -1.0 2.0
   71    81    84    87   0.24500  1.0 3.0
   72    71    81    82   0.15000  1.0 3.0
   72    71    81    83   0.15000  1.0 3.0
   72    71    81    84   0.15000  1.0 3.0
   73    71    81    82   0.15000  1.0 3.0
   73    71    81    83   0.15000  1.0 3.0
   73    71    81    84   0.15000  1.0 3.0
   81    84    87    88   0.41150 -1.0 2.0
   81    84    87    89   0.41150 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87  -0.11250  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87  -0.11250  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
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    42  15.00000 -1.0 2.0
   48    43    42    38  15.00000 -1.0 2.0
   51    63    59    64   1.10000 -1.0 2.0
   71    65    64    59   1.10000 -1.0 2.0
   88    84    87    89  10.50000 -1.0 2.0
END
