* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    168    258     501
    1     0 S   NP   _N1_     1    28.82947    95.73710   -22.85818
    2     1 S   H    _HN1     2     1.02951    78.04742     7.09943
    3     1 S   H    _H1_     3     1.02829    34.33634   154.48553
    4     1 S   H    _H2_     4     1.02785   100.81065   -99.57584
    5     1 S   CT   _CA1     5     1.50094   140.01833   114.71193
    6     5 S   HC   _HA1     6     1.09574   105.23675    81.90669
    7     5 S   CO3  _C1_     7     1.53844   112.41497   -38.36468
    8     7 S   O2Z  _O11     8     1.26373   115.00130   -44.03672
    9     7 S   O2Z  _O12     9     1.26238   114.96299   135.12513
   10     5 S   CT   _CB1    10     1.53099   107.42572  -160.11463
   11    10 S   HC   HB11    11     1.09824   109.53942   -50.11176
   12    10 S   HC   HB12    12     1.09815   110.38114    66.56150
   13    10 S   CT   _CG1    13     1.52921   112.45886  -171.09969
   14    13 S   HC   HG11    14     1.09550   110.34382   -63.65690
   15    13 S   HC   HG12    15     1.09656   109.93343    55.57054
   16    13 S   C    _CD1    16     1.51729   112.44077   176.52239
   17    16 S   O    _OE1    17     1.22719   123.29359     6.45713
   18    16 S   N    _N2_    18     1.38581   111.55157  -174.28855
   19    18 S   H    _HN2    19     1.01594   119.01766     3.46905
   20    18 S   CT1  _CA2    20     1.46248   123.56623  -178.77411
   21    20 S   HC   _HA2    21     1.09726   109.40600    -0.73675
   22    20 S   C    _C2_    22     1.53425   108.65985  -116.42811
   23    22 S   O    _O2_    23     1.23038   122.33319  -148.25882
   24    20 S   CT   _CB2    32     1.53283   111.07969   121.13836
   25    24 S   HC   HB21    33     1.09527   109.33379    55.73250
   26    24 S   HC   HB22    34     1.09473   110.78157   174.95686
   27    22 S   N    _N3_    24     1.38378   113.55893    39.53113
   28    27 S   H    _HN3    25     1.01594   119.52343    -4.78311
   29    24 S   S    _SG2    35     1.82806   111.27604   -64.81896
   30    27 S   CT   _CA3    26     1.45281   123.14214   177.14124
   31    30 S   HC   HA31    27     1.09560   107.74622   -57.22667
   32    30 S   HC   HA32    28     1.09554   107.71404    59.16644
   33    29 S   CT   _C11    36     1.84676    99.67508   165.17765
   34    33 S   HC   _H3_    37     1.09189   105.33166   -36.40012
   35    30 S   CO3  _C3_    29     1.52955   114.10587  -179.22242
   36    35 S   O2Z  _O31    30     1.26383   116.06973    -5.96976
   37    35 S   O2Z  _O32    31     1.26442   114.44915   173.99995
   38    33 S   CM   _C10    38     1.51149   108.61871    81.82561
   39    38 S   HC   _H19    39     1.09176   115.31926    47.85631
   40    33 S   CT   _C12    58     1.55181   113.18136  -153.53131
   41    40 S   HC   _H4_    59     1.10134   106.49703  -179.28564
   42    38 S   CMA  _C9_    40     1.35416   127.88378  -131.79478
   43    42 S   OM   _O37    41     1.26307   128.63453   178.96184
   44    40 S   CT   _C16    60     1.55092   114.08801    62.11762
   45    44 S   HC   _H7_    61     1.09758   109.77737   -46.31662
   46    42 S   CT   _C8_    42     1.53105   120.14888    -3.48611
   47    46 S   HC   _H17    43     1.10105   111.01476  -145.69708
   48    46 S   HC   _H18    44     1.09784   110.09744   -31.40478
   49    44 S   CT   _C15    62     1.53349   102.81712  -160.50640
   50    49 S   HC   _H6_    63     1.09445   112.31755   163.15650
   51    44 S   CT   _C17    73     1.53468   112.59662    75.21535
   52    51 S   HC   _H22    74     1.09678   110.95744    64.60383
   53    51 S   HC   _H23    75     1.09502   110.25280   -51.20243
   54    46 S   CT   _C7_    45     1.53590   112.88825    91.36697
   55    54 S   HC   _H15    46     1.09497   110.10015   -53.00704
   56    54 S   HC   _H16    47     1.09708   109.86169    64.41024
   57    49 S   CT   _C14    64     1.52624   102.91991    42.54055
   58    57 S   HC   _H20    65     1.09663   108.82462    80.82223
   59    57 S   HC   _H21    66     1.09452   112.37125  -158.43989
   60    49 S   OH   _O35    71     1.42186   111.16549   -75.14040
   61    60 S   HO   _H32    72     0.97219   107.52459   174.74327
   62    51 S   CM   _C18    76     1.50263   112.28582  -173.79724
   63    62 S   HC   _H24    77     1.08795   116.15896   -84.83105
   64    54 S   CT   _C6_    48     1.52985   111.25823  -174.18425
   65    64 S   HC   _H13    49     1.09705   109.58228    56.95542
   66    64 S   HC   _H14    50     1.09670   109.56619   -60.39815
   67    40 S   CT   _C13    67     1.54662   115.78113   -59.27829
   68    67 S   HC   _H5_    68     1.09363   113.70279    15.77604
   69    62 S   CM   _C19    78     1.34265   125.81410    96.94051
   70    69 S   HC   _H25    79     1.08835   117.89212   178.15263
   71    64 S   CT   _C5_    51     1.52832   111.28253   178.03966
   72    71 S   HC   _H11    52     1.09625   109.78392   -59.46636
   73    71 S   HC   _H12    53     1.09614   109.94319    58.24985
   74    67 S   OH   _O36    69     1.42502   109.01642  -103.81154
   75    74 S   HO   _H33    70     0.97213   107.47124   179.50425
   76    69 S   CT   _C20    80     1.50220   126.22699    -3.82730
   77    76 S   HC   _H26    81     1.09651   108.15579  -138.66714
   78    76 S   HC   _H27    82     1.09552   111.02261   -22.86192
   79    71 S   CT   _C4_    54     1.52013   111.43674   179.43664
   80    79 S   HC   _H8_    55     1.09468   110.95036   -61.51060
   81    79 S   HC   _H9_    56     1.09445   110.28207   178.74820
   82    79 S   HC   _H10    57     1.09442   111.04212    58.90075
   83    76 S   CT   _C21    83     1.52831   111.85589   100.54149
   84    83 S   HC   _H28    84     1.09746   109.66301    60.03450
   85    83 S   HC   _H29    85     1.09764   109.88277   -57.02724
   86    83 S   CT   _C22    86     1.52621   111.21223  -178.28183
   87    86 S   HC   _H30    87     1.09713   109.39984    59.36871
   88    86 S   HC   _H31    88     1.09709   109.56033   -57.99488
   89    86 S   CO3  _C23    89     1.53174   115.13338  -179.36449
   90    89 S   O2Z  _O34    90     1.26499   114.04858  -176.61037
   91    89 S   O2Z  _O33    91     1.26133   116.67782     3.43507
  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  17   9   9   5   4
  13   7  10   4   3   9   5   4   8   5   4   2   1   7   3   9
   5   4   3   2   8   4   6   5   4   1   1   9   5   4   3   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    67  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49    57    67    68    74    51  
   38    39    42    40    41    44    67  
   36    37  
   37  
    0  
   39    42    43    46    47    48    54    40    41    44    67  
   42    43    46    40  
   41    44    45    49    50    57    58    59    67    68    74    75    60    51    52    53    62    42  
   44    45    49    57    67    68    74    51  
   43    46    47    48    54    55    56    64  
   46    47    48    54  
   45    49    50    57    58    59    67    68    74    60    61    51    52    53    62    63    69  
   49    50    57    67    60    51    52    53    62  
   47    48    54    55    56    64    65    66    71  
   48    54    55    56    64  
   54    55    56    64  
   50    57    58    59    67    68    74    60    61    51    52    53    62  
   57    58    59    67    60    61    51  
   52    53    62    63    69    70    76    57    60    67  
   53    62    63    69  
   62    63    69  
   55    56    64    65    66    71    72    73    79  
   56    64    65    66    71  
   64    65    66    71  
   58    59    67    68    74    75    60    61  
   59    67    68    74    60  
   67    68    74    60  
   61    67  
    0  
   63    69    70    76    77    78    83  
   69    70    76  
   65    66    71    72    73    79    80    81    82  
   66    71    72    73    79  
   71    72    73    79  
   68    74    75  
   74    75  
   70    76    77    78    83    84    85    86  
   76    77    78    83  
   72    73    79    80    81    82  
   73    79    80    81    82  
   79    80    81    82  
   75  
    0  
   77    78    83    84    85    86    87    88    89  
   78    83    84    85    86  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   91   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    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    67   268.000  1.529
   44    45   340.000  1.090
   44    49   268.000  1.529
   44    51   268.000  1.529
   49    50   340.000  1.090
   49    57   268.000  1.529
   49    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    67   268.000  1.529
   67    68   340.000  1.090
   67    74   320.000  1.410
   74    75   553.000  0.945
   60    61   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    62   317.000  1.510
   62    63   340.000  1.080
   62    69   549.000  1.340
   69    70   340.000  1.080
   69    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   317.000  1.522
   89    90   656.000  1.250
   89    91   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    67    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    46    47    45.00000  110.52000
   42    46    48    45.00000  110.52000
   42    46    54    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    64    58.35000  112.70000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    64    65    37.50000  110.70000
   54    64    66    37.50000  110.70000
   54    64    71    58.35000  112.70000
   56    54    55    33.00000  107.80000
   64    54    55    37.50000  110.70000
   64    54    56    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    79    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    82    37.50000  110.70000
   73    71    72    33.00000  107.80000
   79    71    72    37.50000  110.70000
   79    71    73    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    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    49    58.35000  112.70000
   40    44    51    58.35000  112.70000
   40    67    57    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    67    74    50.00000  109.50000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    57    58.35000  112.70000
   44    49    60    50.00000  109.50000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    62    70.00000  112.02700
   49    44    45    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    67    58.35000  112.70000
   49    60    61    55.00000  108.50000
   57    49    50    37.50000  110.70000
   57    67    68    37.50000  110.70000
   57    67    74    50.00000  109.50000
   59    57    58    33.00000  107.80000
   67    40    41    37.50000  110.70000
   67    40    44    58.35000  112.70000
   67    57    58    37.50000  110.70000
   67    57    59    37.50000  110.70000
   67    74    75    55.00000  108.50000
   74    67    68    35.00000  109.50000
   60    49    50    35.00000  109.50000
   60    49    57    50.00000  109.50000
   51    44    45    37.50000  110.70000
   51    44    49    58.35000  112.70000
   51    62    63    35.00000  117.00000
   51    62    69    70.00000  124.00000
   53    51    52    33.00000  107.80000
   62    51    52    35.00000  109.50000
   62    51    53    35.00000  109.50000
   62    69    70    35.00000  120.00000
   62    69    76    70.00000  124.00000
   69    62    63    35.00000  120.00000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    83    70.00000  112.02700
   76    69    70    35.00000  117.00000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    58.35000  112.70000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    70.00000  109.69300
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    70.00000  117.00000
   86    89    91    70.00000  117.00000
   88    86    87    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  109.50000
   91    89    90    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    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    49   0.56750  1.0 1.0
   33    40    44    49  -0.07550 -1.0 2.0
   33    40    44    49   0.20000  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    67    57   0.56750  1.0 1.0
   33    40    67    57  -0.07550 -1.0 2.0
   33    40    67    57   0.20000  1.0 3.0
   33    40    67    68   0.15000  1.0 3.0
   33    40    67    74   0.86500  1.0 1.0
   33    40    67    74  -0.17500 -1.0 2.0
   33    40    67    74   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    67   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    67   0.34400  1.0 1.0
   38    33    40    67   0.09450 -1.0 2.0
   38    33    40    67   0.11100  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    54   0.09850  1.0 1.0
   38    42    46    54   0.15250 -1.0 2.0
   38    42    46    54  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    54    55   0.15000  1.0 3.0
   42    46    54    56   0.15000  1.0 3.0
   42    46    54    64   0.34400  1.0 1.0
   42    46    54    64   0.09450 -1.0 2.0
   42    46    54    64   0.11100  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    54   0.09700  1.0 1.0
   43    42    46    54   0.15600 -1.0 2.0
   43    42    46    54  -0.50800  1.0 3.0
   46    54    64    65   0.15000  1.0 3.0
   46    54    64    66   0.15000  1.0 3.0
   46    54    64    71   0.56750  1.0 1.0
   46    54    64    71  -0.07550 -1.0 2.0
   46    54    64    71   0.20000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    64   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.15000  1.0 3.0
   48    46    54    64   0.15000  1.0 3.0
   54    64    71    72   0.15000  1.0 3.0
   54    64    71    73   0.15000  1.0 3.0
   54    64    71    79   0.56750  1.0 1.0
   54    64    71    79  -0.07550 -1.0 2.0
   54    64    71    79   0.20000  1.0 3.0
   55    54    64    65   0.15000  1.0 3.0
   55    54    64    66   0.15000  1.0 3.0
   55    54    64    71   0.15000  1.0 3.0
   56    54    64    65   0.15000  1.0 3.0
   56    54    64    66   0.15000  1.0 3.0
   56    54    64    71   0.15000  1.0 3.0
   64    71    79    80   0.15000  1.0 3.0
   64    71    79    81   0.15000  1.0 3.0
   64    71    79    82   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    79   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    79   0.15000  1.0 3.0
   72    71    79    80   0.15000  1.0 3.0
   72    71    79    81   0.15000  1.0 3.0
   72    71    79    82   0.15000  1.0 3.0
   73    71    79    80   0.15000  1.0 3.0
   73    71    79    81   0.15000  1.0 3.0
   73    71    79    82   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    49    50   0.15000  1.0 3.0
   40    44   -49    57   0.56750  1.0 1.0
   40    44   -49    57  -0.07550 -1.0 2.0
   40    44   -49    57   0.20000  1.0 3.0
   40    44    49    60   0.86500  1.0 1.0
   40    44    49    60  -0.17500 -1.0 2.0
   40    44    49    60   0.20800  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    62   0.34400  1.0 1.0
   40    44    51    62   0.09450 -1.0 2.0
   40    44    51    62   0.11100  1.0 3.0
   40    67    74    75  -0.11600  1.0 1.0
   40    67    74    75  -0.09450 -1.0 2.0
   40    67    74    75   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    67    57   0.15000  1.0 3.0
   41    40    67    68   0.15000  1.0 3.0
   41    40    67    74   0.23400  1.0 3.0
   44    40   -67    57   0.56750  1.0 1.0
   44    40   -67    57  -0.07550 -1.0 2.0
   44    40   -67    57   0.20000  1.0 3.0
   44    40    67    68   0.15000  1.0 3.0
   44    40    67    74   0.86500  1.0 1.0
   44    40    67    74  -0.17500 -1.0 2.0
   44    40    67    74   0.20800  1.0 3.0
   44    49    57    58   0.15000  1.0 3.0
   44    49    57    59   0.15000  1.0 3.0
   44    49   -57    67   0.56750  1.0 1.0
   44    49   -57    67  -0.07550 -1.0 2.0
   44    49   -57    67   0.20000  1.0 3.0
   44    49    60    61  -0.11600  1.0 1.0
   44    49    60    61  -0.09450 -1.0 2.0
   44    49    60    61   0.21250  1.0 3.0
   44    51    62    63   0.00000  1.0 1.0
   44    51    62    69   0.09850  1.0 1.0
   44    51    62    69   0.15250 -1.0 2.0
   44    51    62    69  -0.50650  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    57   0.15000  1.0 3.0
   45    44    49    60   0.23400  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    62   0.15000  1.0 3.0
   49    44    51    52   0.15000  1.0 3.0
   49    44    51    53   0.15000  1.0 3.0
   49    44    51    62   0.34400  1.0 1.0
   49    44    51    62   0.09450 -1.0 2.0
   49    44    51    62   0.11100  1.0 3.0
   49    57   -67    40   0.56750  1.0 1.0
   49    57   -67    40  -0.07550 -1.0 2.0
   49    57   -67    40   0.20000  1.0 3.0
   49    57    67    68   0.15000  1.0 3.0
   49    57    67    74   0.86500  1.0 1.0
   49    57    67    74  -0.17500 -1.0 2.0
   49    57    67    74   0.20800  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    67   0.15000  1.0 3.0
   50    49    60    61   0.19450  1.0 3.0
   57    49    60    61  -0.11600  1.0 1.0
   57    49    60    61  -0.09450 -1.0 2.0
   57    49    60    61   0.21250  1.0 3.0
   57    67    74    75  -0.11600  1.0 1.0
   57    67    74    75  -0.09450 -1.0 2.0
   57    67    74    75   0.21250  1.0 3.0
   58    57    67    40   0.15000  1.0 3.0
   58    57    67    68   0.15000  1.0 3.0
   58    57    67    74   0.23400  1.0 3.0
   59    57    67    40   0.15000  1.0 3.0
   59    57    67    68   0.15000  1.0 3.0
   59    57    67    74   0.23400  1.0 3.0
   67    40    44    45   0.15000  1.0 3.0
   67    40   -44    49   0.56750  1.0 1.0
   67    40   -44    49  -0.07550 -1.0 2.0
   67    40   -44    49   0.20000  1.0 3.0
   67    40    44    51   0.56750  1.0 1.0
   67    40    44    51  -0.07550 -1.0 2.0
   67    40    44    51   0.20000  1.0 3.0
   68    67    74    75   0.19450  1.0 3.0
   60    49    57    58   0.23400  1.0 3.0
   60    49    57    59   0.23400  1.0 3.0
   60    49    57    67   0.86500  1.0 1.0
   60    49    57    67  -0.17500 -1.0 2.0
   60    49    57    67   0.20800  1.0 3.0
   51    44    49    50   0.15000  1.0 3.0
   51    44    49    57   0.56750  1.0 1.0
   51    44    49    57  -0.07550 -1.0 2.0
   51    44    49    57   0.20000  1.0 3.0
   51    44    49    60   0.86500  1.0 1.0
   51    44    49    60  -0.17500 -1.0 2.0
   51    44    49    60   0.20800  1.0 3.0
   51    62    69    70   7.00000 -1.0 2.0
   51    62    69    76   7.00000 -1.0 2.0
   52    51    62    63   0.33100  1.0 3.0
   52    51    62    69   0.00000  1.0 1.0
   53    51    62    63   0.33100  1.0 3.0
   53    51    62    69   0.00000  1.0 1.0
   62    69    76    77   0.00000  1.0 1.0
   62    69    76    78   0.00000  1.0 1.0
   62    69    76    83   0.09850  1.0 1.0
   62    69    76    83   0.15250 -1.0 2.0
   62    69    76    83  -0.50650  1.0 3.0
   63    62    69    70   7.00000 -1.0 2.0
   63    62    69    76   7.00000 -1.0 2.0
   69    76    83    84   0.15000  1.0 3.0
   69    76    83    85   0.15000  1.0 3.0
   69    76    83    86   0.34400  1.0 1.0
   69    76    83    86   0.09450 -1.0 2.0
   69    76    83    86   0.11100  1.0 3.0
   70    69    76    77   0.33100  1.0 3.0
   70    69    76    78   0.33100  1.0 3.0
   70    69    76    83   0.00000  1.0 1.0
   76    83    86    87   0.15000  1.0 3.0
   76    83    86    88   0.15000  1.0 3.0
   76    83    86    89  -1.63150  1.0 1.0
   76    83    86    89  -0.43550 -1.0 2.0
   76    83    86    89   0.24500  1.0 3.0
   77    76    83    84   0.15000  1.0 3.0
   77    76    83    85   0.15000  1.0 3.0
   77    76    83    86   0.15000  1.0 3.0
   78    76    83    84   0.15000  1.0 3.0
   78    76    83    85   0.15000  1.0 3.0
   78    76    83    86   0.15000  1.0 3.0
   83    86    89    90   0.41150 -1.0 2.0
   83    86    89    91   0.41150 -1.0 2.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89  -0.11250  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89  -0.11250  1.0 3.0
   87    86    89    90   0.00000  1.0 1.0
   87    86    89    91   0.00000  1.0 1.0
   88    86    89    90   0.00000  1.0 1.0
   88    86    89    91   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
   46    43    42    38  15.00000 -1.0 2.0
   51    63    62    69  15.00000 -1.0 2.0
   76    70    69    62  15.00000 -1.0 2.0
   90    86    89    91  10.50000 -1.0 2.0
END
