* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    164    257     471
    1     0 S   NP   _N1_     1    28.10690    98.34094   -22.73488
    2     1 S   H    _HN1     2     1.02773   108.95738  -120.47660
    3     1 S   H    _H1_     3     1.02947    67.31768   -17.95587
    4     1 S   H    _H2_     4     1.02830    41.75798   143.61877
    5     1 S   CT   _CA1     5     1.50181   136.76338    78.19381
    6     5 S   HC   _HA1     6     1.09577   105.17381    99.89651
    7     5 S   CO3  _C1_     7     1.53803   111.94760   -20.17986
    8     7 S   O2Z  _O11     8     1.26380   115.00535   -50.66377
    9     7 S   O2Z  _O12     9     1.26205   114.91845   127.80941
   10     5 S   CT   _CB1    10     1.53059   107.32592  -142.33282
   11    10 S   HC   HB11    11     1.09840   109.42575   -49.26729
   12    10 S   HC   HB12    12     1.09806   110.48264    67.30062
   13    10 S   CT   _CG1    13     1.53026   112.62660  -170.16369
   14    13 S   HC   HG11    14     1.09591   110.65578   -64.37165
   15    13 S   HC   HG12    15     1.09657   109.82582    54.84877
   16    13 S   C    _CD1    16     1.51873   111.95149   175.34823
   17    16 S   O    _OE1    17     1.22803   123.23631     8.43713
   18    16 S   N    _N2_    18     1.38434   111.95717  -171.96114
   19    18 S   H    _HN2    19     1.01926   119.14043     1.76879
   20    18 S   CT1  _CA2    20     1.45827   122.83472   179.50032
   21    20 S   HC   _HA2    21     1.09749   108.60186    31.26521
   22    20 S   C    _C2_    22     1.52989   107.66294   -85.90499
   23    22 S   O    _O2_    23     1.22943   123.25995   -25.43114
   24    20 S   CT   _CB2    32     1.53234   111.94378   154.24174
   25    24 S   HC   HB21    33     1.09339   109.42752    55.93860
   26    24 S   HC   HB22    34     1.09498   110.44862   174.15947
   27    22 S   N    _N3_    24     1.38560   112.37464   157.17848
   28    27 S   H    _HN3    25     1.01642   120.31102    -2.03673
   29    24 S   S    _SG2    35     1.82822   110.78535   -66.35807
   30    27 S   CT   _CA3    26     1.45340   122.56417   178.50865
   31    30 S   HC   HA31    27     1.09562   107.82673   -56.13400
   32    30 S   HC   HA32    28     1.09562   107.60888    60.22452
   33    29 S   CT   _C7_    36     1.86857   101.69962   154.04449
   34    30 S   CO3  _C3_    29     1.52909   114.25240  -177.94710
   35    34 S   O2Z  _O31    30     1.26352   116.04308     2.58679
   36    34 S   O2Z  _O32    31     1.26438   114.42527  -177.44365
   37    33 S   CT   _C8_    37     1.56180   105.84065   176.55713
   38    37 S   HC   _H11    38     1.09480   112.01499   -62.61525
   39    37 S   HC   _H12    39     1.09628   111.94233    56.82722
   40    33 S   CT   _C6_    78     1.56428   110.39174    56.36862
   41    40 S   HC   _H9_    79     1.09538   109.11064   -65.74954
   42    40 S   HC   _H10    80     1.09504   110.29670   178.11550
   43    37 S   OS   _O33    40     1.43610   111.67723   177.56474
   44    40 S   S    _S1_    81     1.83024   116.34738    57.71370
   45    43 S   C4T  _C9_    41     1.44538   113.90900   -57.96453
   46    45 S   HC   _H3_    42     1.09571   110.82723   -79.56957
   47    44 S   CRA  _C5_    82     1.72559   101.65475  -158.38437
   48    45 S   C4T  _C10    43     1.56967   117.91877   146.23195
   49    45 S   N4   _N8_    46     1.45859   112.90674    46.74205
   50    47 S   N5B  _N5_    83     1.31406   128.12359    -1.86173
   51    48 S   C4   _C11    44     1.56890    83.95961  -106.42542
   52    51 S   O    _O34    45     1.20975   137.00137   168.54063
   53    33 S   CT1  _C12    47     1.57586   111.53106   -64.16873
   54    53 S   HC   _H4_    48     1.09798   109.03723    82.66271
   55    48 S   N    _N9_    52     1.48767   112.29937     6.11298
   56    55 S   H    _H13    53     1.01723   118.64660    11.85819
   57    48 S   OS   _O41    73     1.45093   115.67445   142.30783
   58    50 S   N5B  _N6_    84     1.37517   105.83295   179.19911
   59    53 S   CO3  _C13    49     1.54942   115.65974   -38.22939
   60    59 S   O2Z  _O36    50     1.26259   116.11308   -67.82071
   61    59 S   O2Z  _O35    51     1.26580   114.56496   112.28251
   62    55 S   C    _C14    54     1.38925   123.21108  -168.44278
   63    62 S   O    _O37    55     1.22807   124.13620     2.87099
   64    57 S   CT   _C23    74     1.42050   116.65473   -75.89832
   65    64 S   HC   _H19    75     1.09306   108.40579   173.14668
   66    64 S   HC   _H20    76     1.09335   110.70170    53.93805
   67    64 S   HC   _H21    77     1.09336   110.27904   -68.01949
   68    58 S   N5A  _N7_    85     1.32681   111.10250     0.15195
   69    62 S   CT   _C15    56     1.52211   112.20213  -176.07924
   70    69 S   HC   _H5_    57     1.10078   106.04853    41.86214
   71    47 S   NA   _N4_    86     1.36448   123.38150   177.39797
   72    69 S   CA   _C16    58     1.51546   113.63294   -76.52526
   73    69 S   CO3  _C22    70     1.53394   110.63220   157.68877
   74    73 S   O2Z  _O40    71     1.26311   116.87559    79.96491
   75    73 S   O2Z  _O39    72     1.26656   114.26539  -100.00187
   76    71 S   CT   _C4_    87     1.43732   130.09220     1.44767
   77    76 S   HC   _H6_    88     1.09276   108.67831    59.11590
   78    76 S   HC   _H7_    89     1.09329   109.57047   178.75259
   79    76 S   HC   _H8_    90     1.09264   108.66707   -61.52071
   80    72 S   CA   _C17    59     1.40495   119.24966   141.81116
   81    80 S   HA   _H14    60     1.08760   120.27777    -1.09271
   82    80 S   CA   _C18    61     1.39530   120.81607   178.48767
   83    82 S   HA   _H15    62     1.08604   119.87985  -179.95154
   84    82 S   CA   _C19    63     1.38998   119.55706    -0.41871
   85    84 S   CA   _C20    64     1.39201   120.71847     0.19077
   86    85 S   HA   _H16    65     1.08598   121.00504  -179.57989
   87    84 S   OH   _O38    68     1.36599   118.14858  -179.52153
   88    87 S   HO   _H18    69     0.97318   108.46708  -177.49548
   89    72 S   CA   _C21    66     1.40400   122.12331   -40.20078
   90    89 S   HA   _H17    67     1.08750   120.56243     0.75976
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   7  13   6   8  14
   9   4   9   3   4   3   9   4   5   3   2   1   1   9   4   3
   2   1   1   5  11   6   4  12   4   1   1   3   2   1   1   8
   4   7   3   6   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    49    53    54    59    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    51    49    53    54    59    60    61    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    49    53    54    59    40    41    42    44  
   39    43    45    53    40  
   43    45    53    40  
   41    42    44    47    50    71    43    49    53    54    59  
   42    44    47    53  
   44    47    53  
   45    46    48    51    49    53    55    57  
   47    50    58    68    71    76    53  
   46    48    51    52    49    53    54    59    55    56    62    57    64  
   48    51    49    53    55    57  
   50    58    68    71    76    77    78    79  
   51    52    49    53    55    56    62    63    69    57    64    65    66    67  
   53    54    59    60    61    55    57    51    52  
   58    68    71    76  
   52    53    54    59    55    56    62    57    64  
   53    55    57  
   54    59    60    61  
   59    60    61  
   56    62    63    69    70    72    73    57    64  
   62    63    69    57  
   64    65    66    67    62  
   68    71    76  
   60    61  
   61  
    0  
   63    69    70    72    80    89    73    74    75  
   69    70    72    73  
   65    66    67  
   66    67  
   67  
    0  
   71    76    77    78    79  
   70    72    80    81    82    85    89    90    73    74    75  
   72    80    89    73    74    75  
   76    77    78    79  
   80    81    82    83    84    85    86    89    90    73    74    75  
   74    75    80    89  
   75  
    0  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    89    90    87  
   82    83    84    89  
   83    84    85    86    89    87    88  
   84    85    87  
   85    86    89    90    87    88  
   86    89    90    87    88  
   89    90    87  
   88    89  
    0  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   51   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   69   3.5000   0.0660  -0.045000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   320.000  1.410
   43    45   320.000  1.410
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    49   305.000  1.456
   48    51   250.000  1.540
   48    55   337.000  1.449
   48    57   320.000  1.410
   51    52   930.000  1.212
   51    49   440.000  1.369
   49    53   337.000  1.449
   53    54   340.000  1.090
   53    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   55    56   434.000  1.010
   55    62   490.000  1.335
   62    63   570.000  1.229
   62    69   317.000  1.522
   69    70   340.000  1.090
   69    72   317.000  1.510
   69    73   317.000  1.522
   72    80   469.000  1.400
   72    89   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   469.000  1.400
   84    87   450.000  1.364
   85    86   367.000  1.080
   85    89   469.000  1.400
   89    90   367.000  1.080
   87    88   553.000  0.945
   73    74   656.000  1.250
   73    75   656.000  1.250
   57    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   245.000  1.755
   47    50   488.000  1.335
   47    71   477.000  1.343
   50    58   290.000  1.379
   58    68   420.000  1.291
   68    71   400.000  1.349
   71    76   320.000  1.443
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    53    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    50.00000  109.50000
   33    53    49    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    60.00000  109.50000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    48    50.00000  109.50000
   43    45    49    95.00000  111.00000
   45    48    51   100.00000   86.36000
   45    48    55    80.00000  110.05700
   45    48    57    50.00000  109.50000
   45    49    51   100.00000   93.00000
   45    49    53    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    51    52    60.00000  136.58000
   48    51    49    95.00000   92.72400
   48    55    56    38.00000  118.40000
   48    55    62    50.00000  121.90000
   48    57    64    60.00000  109.50000
   51    49    53    50.00000  132.10000
   49    45    46    50.00000  112.01000
   49    45    48   105.00000   87.49700
   49    51    52    75.00000  131.60000
   49    53    54    35.00000  109.50000
   49    53    59    63.00000  110.10000
   53    33    37    58.35000  112.70000
   53    59    60    70.00000  117.00000
   53    59    61    70.00000  117.00000
   59    53    54    35.00000  109.50000
   61    59    60    80.00000  126.00000
   55    48    51    75.00000  110.24000
   55    62    63    80.00000  122.90000
   55    62    69    70.00000  116.60000
   62    55    56    35.00000  119.80000
   62    69    70    35.00000  109.50000
   62    69    72    70.00000  109.44300
   62    69    73    75.00000  103.47400
   69    62    63    80.00000  120.40000
   69    72    80    70.00000  120.00000
   69    72    89    70.00000  120.00000
   69    73    74    70.00000  117.00000
   69    73    75    70.00000  117.00000
   72    69    70    35.00000  109.50000
   72    80    81    35.00000  120.00000
   72    80    82    63.00000  120.00000
   72    89    85    63.00000  120.00000
   72    89    90    35.00000  120.00000
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    63.00000  120.00000
   82    84    87    70.00000  120.00000
   84    82    83    35.00000  120.00000
   84    85    86    35.00000  120.00000
   84    85    89    63.00000  120.00000
   84    87    88    35.00000  113.00000
   85    89    90    35.00000  120.00000
   89    72    80    63.00000  120.00000
   89    85    86    35.00000  120.00000
   87    84    85    70.00000  120.00000
   73    69    70    35.00000  109.50000
   73    69    72    70.00000  106.62600
   75    73    74    80.00000  126.00000
   57    48    51    90.00000  108.55600
   57    48    55    95.00000  111.00000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   40    44    47    85.00000   97.05500
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    50    70.00000  126.12900
   44    47    71    70.00000  123.45500
   47    50    58   100.00000  108.10500
   47    71    68    95.00000  110.06400
   47    71    76    60.00000  127.66100
   50    58    68   100.00000  111.97400
   58    68    71   110.00000  106.81600
   68    71    76    75.00000  118.68000
   71    47    50    70.00000  120.00000
   71    76    77    50.00000  108.61900
   71    76    78    50.00000  108.61900
   71    76    79    50.00000  108.61900
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    53    49   0.71400  1.0 1.0
   29    33    53    49   0.04300 -1.0 2.0
   29    33    53    49   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    59  -2.17200  1.0 1.0
   29    33    53    59  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45   0.06250  1.0 1.0
   33    37    43    45  -0.01100 -1.0 2.0
   33    37    43    45   0.28050  1.0 3.0
   33    53    59    60   0.00000  1.0 1.0
   33    53    59    61   0.00000  1.0 1.0
   33    40    44    47  -0.35400  1.0 1.0
   33    40    44    47  -0.24450 -1.0 2.0
   33    40    44    47   0.44000  1.0 3.0
   37    33    53    49   0.42250  1.0 1.0
   37    33    53    49  -0.48100 -1.0 2.0
   37    33    53    49   0.35650  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    59  -0.84850  1.0 1.0
   37    33    53    59  -0.22800 -1.0 2.0
   37    33    53    59   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.37050  1.0 3.0
   37    43    45    48   0.06250  1.0 1.0
   37    43    45    48  -0.01100 -1.0 2.0
   37    43    45    48   0.28050  1.0 3.0
   37    43   -45    49  -2.37750  1.0 1.0
   37    43   -45    49  -0.08150 -1.0 2.0
   37    43   -45    49   0.59000  1.0 3.0
   38    37    43    45   0.37050  1.0 3.0
   39    37    43    45   0.37050  1.0 3.0
   43    45    48    51  -0.09450  1.0 1.0
   43    45    48    51  -1.12950 -1.0 2.0
   43    45    48    51   0.54000  1.0 3.0
   43    45    48    55   1.12100  1.0 1.0
   43    45    48    55  -0.16500 -1.0 2.0
   43    45    48    57   1.11900  1.0 1.0
   43    45    48    57  -1.16350 -1.0 2.0
   43    45    48    57  -0.34150  1.0 3.0
   43    45   -49    51   0.00000  1.0 1.0
   43    45    49    53   0.00000  1.0 1.0
   45    48    51    52  -0.11250  1.0 1.0
   45    48    51    52   0.11400 -1.0 2.0
   45    48    51    52  -0.28950  1.0 3.0
   45    48   -51    49   3.00000 -1.0 2.0
   45    48    55    56   0.00000  1.0 1.0
   45    48    55    62  -0.43950  1.0 1.0
   45    48    55    62  -0.08100 -1.0 2.0
   45    48    55    62   0.03350  1.0 3.0
   45    48    57    64   0.06250  1.0 1.0
   45    48    57    64  -0.01100 -1.0 2.0
   45    48    57    64   0.28050  1.0 3.0
   45    49   -53    33   0.00000  1.0 1.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    59   0.00000  1.0 1.0
   46    45    48    51   0.15000  1.0 3.0
   46    45    48    55   0.15000  1.0 3.0
   46    45    48    57   0.15000  1.0 3.0
   46    45   -49    51   0.00000  1.0 1.0
   46    45    49    53   0.00000  1.0 1.0
   48    45   -49    51   0.00000  1.0 1.0
   48    45    49    53   0.00000  1.0 1.0
   48    51   -49    45   3.00000 -1.0 2.0
   48    51   -49    53   3.00000 -1.0 2.0
   48    55    62    63   3.04450 -1.0 2.0
   48    55    62    69   1.49850  1.0 1.0
   48    55    62    69   1.53950 -1.0 2.0
   48    57    64    65   0.37050  1.0 3.0
   48    57    64    66   0.37050  1.0 3.0
   48    57    64    67   0.37050  1.0 3.0
   51    48    55    56   0.00000  1.0 1.0
   51    48    55    62  -0.42300  1.0 1.0
   51    48    55    62  -0.07000 -1.0 2.0
   51    48    55    62   0.04150  1.0 3.0
   51    48    57    64  -1.11000  1.0 1.0
   51    48    57    64   0.50250 -1.0 2.0
   51    48    57    64   0.47450  1.0 3.0
   51    49    53    33   0.00000  1.0 1.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    59   0.00000  1.0 1.0
   52    51   -49    45   3.00000 -1.0 2.0
   52    51    49    53   3.00000 -1.0 2.0
   49    45   -48    51   3.00000 -1.0 2.0
   49    45    48    55   2.20050  1.0 1.0
   49    45    48    55   0.63450 -1.0 2.0
   49    45    48    55  -0.91300  1.0 3.0
   49    45    48    57   1.12100  1.0 1.0
   49    45    48    57  -0.16500 -1.0 2.0
   49    53    59    60   0.00000  1.0 1.0
   49    53    59    61   0.00000  1.0 1.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    43   0.62750  1.0 1.0
   53    33   -37    43  -0.30950 -1.0 2.0
   53    33   -37    43   0.27300  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    44   0.44750  1.0 1.0
   53    33    40    44  -0.17800 -1.0 2.0
   53    33    40    44   0.20200  1.0 3.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.00000  1.0 1.0
   55    48    51    52   0.30150 -1.0 2.0
   55    48   -51    49   0.00000  1.0 1.0
   55    48    57    64  -2.37750  1.0 1.0
   55    48    57    64  -0.08150 -1.0 2.0
   55    48    57    64   0.59000  1.0 3.0
   55    62    69    70   0.00000  1.0 1.0
   55    62    69    72   0.00000  1.0 1.0
   55    62    69    73   0.00000  1.0 1.0
   56    55    62    63   2.45000 -1.0 2.0
   56    55    62    69   2.45000 -1.0 2.0
   62    69    72    80   0.04300 -1.0 2.0
   62    69    72    89   0.04300 -1.0 2.0
   62    69    73    74   0.30150 -1.0 2.0
   62    69    73    75   0.30150 -1.0 2.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    72   0.30150 -1.0 2.0
   63    62    69    73   0.30150 -1.0 2.0
   69    72    80    81   3.62500 -1.0 2.0
   69    72    80    82   3.62500 -1.0 2.0
   69    72    89    85   3.62500 -1.0 2.0
   69    72    89    90   3.62500 -1.0 2.0
   70    69    72    80   0.00000  1.0 1.0
   70    69    72    89   0.00000  1.0 1.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   0.00000  1.0 1.0
   72    69    73    74   0.30150 -1.0 2.0
   72    69    73    75   0.30150 -1.0 2.0
   72    80    82    83   3.62500 -1.0 2.0
   72    80    82    84   3.62500 -1.0 2.0
   80    72    89    85   3.62500 -1.0 2.0
   80    72    89    90   3.62500 -1.0 2.0
   80    82   -84    85   3.62500 -1.0 2.0
   80    82    84    87   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    84    85    86   3.62500 -1.0 2.0
   82    84    85    89   3.62500 -1.0 2.0
   82    84    87    88   0.84100 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    87   3.62500 -1.0 2.0
   84    85   -89    72   3.62500 -1.0 2.0
   84    85    89    90   3.62500 -1.0 2.0
   85    84    87    88   0.84100 -1.0 2.0
   86    85    89    72   3.62500 -1.0 2.0
   86    85    89    90   3.62500 -1.0 2.0
   89    72    80    81   3.62500 -1.0 2.0
   89    72   -80    82   3.62500 -1.0 2.0
   87    84    85    86   3.62500 -1.0 2.0
   87    84    85    89   3.62500 -1.0 2.0
   73    69    72    80   0.04300 -1.0 2.0
   73    69    72    89   0.04300 -1.0 2.0
   57    48    51    52   0.30150 -1.0 2.0
   57    48   -51    49   0.00000  1.0 1.0
   57    48    55    56   0.00000  1.0 1.0
   57    48    55    62  -2.75650  1.0 1.0
   57    48    55    62  -1.18150 -1.0 2.0
   57    48    55    62   0.81900  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.62750  1.0 1.0
   40    33    37    43  -0.30950 -1.0 2.0
   40    33    37    43   0.27300  1.0 3.0
   40    33    53    49   0.42250  1.0 1.0
   40    33    53    49  -0.48100 -1.0 2.0
   40    33    53    49   0.35650  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    59  -0.84850  1.0 1.0
   40    33    53    59  -0.22800 -1.0 2.0
   40    33    53    59   0.29250  1.0 3.0
   40    44    47    50   0.63150 -1.0 2.0
   40    44    47    71   0.63150 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    50    58   3.62500 -1.0 2.0
   44    47    71    68   3.62500 -1.0 2.0
   44    47    71    76   3.62500 -1.0 2.0
   47    50   -58    68   3.62500 -1.0 2.0
   47    71    76    77   0.00000  1.0 1.0
   47    71    76    78   0.00000  1.0 1.0
   47    71    76    79   0.00000  1.0 1.0
   50    47   -71    68   3.62500 -1.0 2.0
   50    47    71    76   3.62500 -1.0 2.0
   50    58   -68    71   3.62500 -1.0 2.0
   58    68   -71    47   3.62500 -1.0 2.0
   58    68    71    76   3.62500 -1.0 2.0
   68    71    76    77   0.00000  1.0 1.0
   68    71    76    78   0.00000  1.0 1.0
   68    71    76    79   0.00000  1.0 1.0
   71    47   -50    58   3.62500 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   48    49    51    52  10.50000 -1.0 2.0
   53    51    49    45   1.00000 -1.0 2.0
   60    53    59    61  10.50000 -1.0 2.0
   56    62    55    48   1.00000 -1.0 2.0
   55    69    62    63  10.50000 -1.0 2.0
   80    89    72    69   4.00000 -1.0 2.0
   82    81    80    72   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   85    87    84    82   4.00000 -1.0 2.0
   89    86    85    84   1.10000 -1.0 2.0
   85    90    89    72   1.10000 -1.0 2.0
   74    69    73    75  10.50000 -1.0 2.0
   50    71    47    44   4.00000 -1.0 2.0
   68    76    71    47   4.00000 -1.0 2.0
END
