* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    163    240     480
    1     0 S   NP   _N1_     1    28.82216    93.49571   -20.08686
    2     1 S   H    _HN1     2     1.02824    22.78104   162.70220
    3     1 S   H    _H1_     3     1.02774    91.74549   -60.91554
    4     1 S   H    _H2_     4     1.02968    98.31583    47.85556
    5     1 S   CT   _CA1     5     1.50197   133.11610   175.97022
    6     5 S   HC   _HA1     6     1.09608   105.07766    53.65564
    7     5 S   CO3  _C1_     7     1.53655   112.25180   -65.89646
    8     7 S   O2Z  _O11     8     1.26320   115.08878   -46.98004
    9     7 S   O2Z  _O12     9     1.26262   114.84131   131.70473
   10     5 S   CT   _CB1    10     1.53083   107.25715   170.86877
   11    10 S   HC   HB11    11     1.09793   108.55506   -54.60037
   12    10 S   HC   HB12    12     1.09812   110.63430    61.54245
   13    10 S   CT   _CG1    13     1.53061   112.99647  -176.22462
   14    13 S   HC   HG11    14     1.09630   109.98566   -71.62511
   15    13 S   HC   HG12    15     1.09657   110.25889    47.34063
   16    13 S   C    _CD1    16     1.51994   112.33960   166.75894
   17    16 S   O    _OE1    17     1.22782   123.07826   -16.61741
   18    16 S   N    _N2_    18     1.38562   111.97154   165.51091
   19    18 S   H    _HN2    19     1.01602   119.02803    -2.45559
   20    18 S   CT1  _CA2    20     1.46372   123.46094   178.43627
   21    20 S   HC   _HA2    21     1.09737   109.31596   -15.98888
   22    20 S   C    _C2_    22     1.53493   108.26363  -131.48059
   23    22 S   O    _O2_    23     1.23025   122.29895  -147.50273
   24    20 S   CT   _CB2    32     1.53433   111.39719   106.38107
   25    24 S   HC   HB21    33     1.09391   108.89165    52.26102
   26    24 S   HC   HB22    34     1.09484   110.95998   170.87084
   27    22 S   N    _N3_    24     1.38535   113.36701    40.10577
   28    27 S   H    _HN3    25     1.01532   118.83115    -1.02565
   29    24 S   S    _SG2    35     1.82809   111.50276   -69.76342
   30    27 S   CT   _CA3    26     1.45437   123.50818   175.05363
   31    30 S   HC   HA31    27     1.09522   109.26292    23.76708
   32    30 S   HC   HA32    28     1.09496   107.11325   140.76946
   33    29 S   CT   _C21    36     1.83847   100.48547   162.44272
   34    33 S   HC   _H5_    37     1.09661   105.34373    56.46525
   35    30 S   CO3  _C3_    29     1.52923   113.11256   -99.73308
   36    35 S   O2Z  _O31    30     1.26405   115.41828   -44.40190
   37    35 S   O2Z  _O32    31     1.26359   114.98684   136.54232
   38    33 S   CM   _C7_    38     1.53358   112.36354   -62.55723
   39    33 S   CT   _C22    85     1.53017   109.36392   169.93190
   40    39 S   HC   _H27    86     1.09448   113.08759    60.36311
   41    39 S   HC   _H28    87     1.09648   110.77182   -60.41093
   42    39 S   HC   _H29    88     1.09515   110.65956  -178.75699
   43    38 S   CMA  _C8_    39     1.37042   125.72976   -60.71606
   44    43 S   OM   _O38    40     1.26789   126.22569    -2.69035
   45    38 S   CT   _C6_    72     1.52805   113.02902   116.49080
   46    45 S   HC   _H9_    73     1.08988   109.02287  -144.67799
   47    45 S   HC   _H10    74     1.09908   108.39956   -34.22184
   48    43 S   OS   _O33    41     1.42061   112.10812  -179.62206
   49    48 S   CT   _C9_    42     1.43516   113.87941  -118.48529
   50    49 S   HC   _H4_    43     1.09946   111.81582    18.80588
   51    49 S   CO4  _C15    44     1.52944   104.96552   134.27564
   52    51 S   O    _O34    45     1.23206   121.61764  -101.83348
   53    49 S   CT   _C10    56     1.53162   109.73841  -103.69291
   54    53 S   HC   _H11    57     1.09704   109.17484    58.23962
   55    53 S   HC   _H12    58     1.09634   111.17387   -55.97670
   56    51 S   CM   _C14    46     1.48997   119.07760    74.50733
   57    56 S   CM   _C13    47     1.34595   119.88191    79.30366
   58    57 S   HC   _H17    48     1.09106   116.34421   179.13566
   59    56 S   CT   _C16    63     1.50720   118.80409  -102.45830
   60    59 S   HC   _H18    64     1.09680   109.23419   124.38758
   61    59 S   HC   _H19    65     1.09605   109.61216  -115.55496
   62    57 S   CT   _C12    49     1.51091   131.34220     0.08623
   63    62 S   HC   _H15    50     1.09899   104.36182   118.78447
   64    62 S   HC   _H16    51     1.09808   108.73897  -128.79664
   65    59 S   OS   _O35    66     1.43527   111.18978     3.86321
   66    62 S   NT   _N4_    52     1.46735   117.93722    -2.29047
   67    65 S   CO4  _C17    67     1.36126   116.87469   168.24750
   68    67 S   O    _O36    68     1.22564   124.99381     5.16335
   69    66 S   CT   _C11    53     1.47370   113.08276   -82.47947
   70    69 S   HC   _H13    54     1.09799   110.59157   -62.07025
   71    69 S   HC   _H14    55     1.09689   108.33839  -178.55843
   72    66 S   CT   _C20    59     1.46681   110.40150   154.87064
   73    72 S   HC   _H24    60     1.09565   110.71672  -177.17195
   74    72 S   HC   _H25    61     1.09601   112.08295    61.52466
   75    72 S   HC   _H26    62     1.09585   110.66027   -59.69423
   76    67 S   CT   _C18    69     1.53705   110.97182  -175.13216
   77    76 S   CT   _C5_    70     1.56320   113.43461    56.20286
   78    77 S   HC   _H3_    71     1.10065   106.85068   162.46789
   79    76 S   CT   _C19    79     1.53014   109.67180   -72.28240
   80    79 S   HC   _H20    80     1.09565   110.76567  -176.75321
   81    79 S   HC   _H21    81     1.09428   112.52951    61.21381
   82    79 S   HC   _H22    82     1.09670   110.75595   -58.76753
   83    76 S   OH   _O37    83     1.43674   106.05791   172.78343
   84    83 S   HO   _H23    84     0.97306   108.03218    57.52219
   85    77 S   CT   _C4_    75     1.53963   110.65282    48.75978
   86    85 S   HC   _H6_    76     1.09375   112.06764   -69.20661
   87    85 S   HC   _H7_    77     1.09352   111.42266   169.70172
   88    85 S   HC   _H8_    78     1.09534   110.99794    51.20533
  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
  13   7   2   1   1  15   5   2   1   1  10   3  13   5   4   9
  13   7  13   4   9   5   4  11  11   5   7   3   2  10   4   3
   6   7  11   4   6   2   1   3   2   1   1  12  11   6   6   3
   2   1   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    77    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    76    77    78    45    46    47    85    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    53    77    45    46    47  
   48    49    45  
   46    47    85    86    87    88    79    83    48    67    76    77    78  
   47    85    76    77    78  
   85    76    77    78  
   49    50    51    52    56    69    53    54    55  
   50    51    52    56    57    66    69    70    71    53    54    55    59  
   51    52    56    69    53    54    55  
   52    56    57    58    62    69    53    54    55    59    60    61    65  
   56    57    53    59  
   54    55    72    56    62    66    69    70    71  
   55    66    69    70    71  
   66    69    70    71  
   57    58    62    63    64    66    59    60    61    65    67  
   58    62    63    64    66    69    72    59    60    61    65  
   62    63    64    66    59  
   60    61    65    67    68    76    62  
   61    65    67  
   65    67  
   63    64    66    69    70    71    72    73    74    75  
   64    66    69    72  
   66    69    72  
   67    68    76    77    79    83  
   69    70    71    72    73    74    75  
   68    76    77    78    85    79    80    81    82    83    84  
   76    77    79    83  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    78    85    86    87    88    79    80    81    82    83    84  
   78    85    86    87    88    79    80    81    82    83    84  
   85    86    87    88    79    83  
   80    81    82    83    84    85  
   81    82    83  
   82    83  
   83  
   84    85  
    0  
   86    87    88  
   87    88  
   88  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   317.000  1.522
   49    53   268.000  1.529
   51    52   570.000  1.229
   51    56   320.000  1.462
   56    57   549.000  1.340
   56    59   317.000  1.510
   57    58   340.000  1.080
   57    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   382.000  1.448
   66    69   382.000  1.448
   66    72   382.000  1.448
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   320.000  1.410
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    76   317.000  1.522
   76    77   268.000  1.529
   76    79   268.000  1.529
   76    83   320.000  1.410
   77    78   340.000  1.090
   77    45   268.000  1.529
   77    85   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    77    70.00000  112.02700
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    90.00000  108.74100
   48    49    53    50.00000  109.50000
   49    51    52    80.00000  120.40000
   49    51    56    65.00000  118.62400
   49    53    69    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   51    49    50    35.00000  109.50000
   51    56    57    65.00000  118.96000
   51    56    59    65.00000  116.34900
   56    51    52    80.00000  123.72100
   56    57    58    35.00000  120.00000
   56    57    62    70.00000  124.00000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    65    85.00000  110.90400
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    66    75.00000  110.70900
   62    57    58    35.00000  117.00000
   62    66    69    51.80000  107.20000
   62    66    72    51.80000  107.20000
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    53    56.20000  109.47000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   69    53    54    37.50000  110.70000
   69    53    55    37.50000  110.70000
   71    69    70    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    63.00000  111.10000
   53    69    70    37.50000  110.70000
   53    69    71    37.50000  110.70000
   55    53    54    33.00000  107.80000
   72    66    69    51.80000  107.20000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   59    56    57    70.00000  124.00000
   59    65    67    83.00000  116.90000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    76    81.00000  111.40000
   67    76    77    63.00000  111.10000
   67    76    79    63.00000  111.10000
   67    76    83    90.00000  109.61100
   76    67    68    80.00000  120.40000
   76    77    78    37.50000  110.70000
   76    77    45    58.35000  112.70000
   76    77    85    58.35000  112.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    37.50000  110.70000
   76    83    84    55.00000  108.50000
   77    45    46    37.50000  110.70000
   77    45    47    37.50000  110.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   77    85    88    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    77    78    37.50000  110.70000
   47    45    46    33.00000  107.80000
   85    77    78    37.50000  110.70000
   85    77    45    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   79    76    77    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    76    77    50.00000  109.50000
   83    76    79    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    77   0.46850  1.0 1.0
   33    38    45    77   0.08550 -1.0 2.0
   33    38    45    77   0.09800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    77   0.09850  1.0 1.0
   43    38    45    77   0.15250 -1.0 2.0
   43    38    45    77  -0.50650  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.48150  1.0 1.0
   43    48    49    51   0.09250 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    53  -0.46850  1.0 1.0
   43    48    49    53   0.09300 -1.0 2.0
   43    48    49    53  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.30150 -1.0 2.0
   48    49    51    56   0.65300  1.0 1.0
   48    49    51    56  -0.03850 -1.0 2.0
   48    49    51    56   0.33900  1.0 3.0
   48    49    53    69   0.62750  1.0 1.0
   48    49    53    69  -0.30950 -1.0 2.0
   48    49    53    69   0.27300  1.0 3.0
   48    49    53    54   0.23400  1.0 3.0
   48    49    53    55   0.23400  1.0 3.0
   49    51    56    57  -0.33500  1.0 1.0
   49    51    56    57   1.06600 -1.0 2.0
   49    51    56    57  -0.14000  1.0 3.0
   49    51    56    59   0.25700  1.0 1.0
   49    51    56    59   0.66200 -1.0 2.0
   49    51    56    59   0.04450  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    56   0.00000  1.0 1.0
   50    49    53    69   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   51    49    53    69  -0.95700  1.0 1.0
   51    49    53    69  -0.18200 -1.0 2.0
   51    49    53    69   0.29450  1.0 3.0
   51    49    53    54  -0.11250  1.0 3.0
   51    49    53    55  -0.11250  1.0 3.0
   51    56    57    58   7.00000 -1.0 2.0
   51    56    57    62   7.00000 -1.0 2.0
   51    56    59    60   0.15000  1.0 3.0
   51    56    59    61   0.15000  1.0 3.0
   51    56    59    65   0.09700  1.0 1.0
   51    56    59    65   0.15600 -1.0 2.0
   51    56    59    65  -0.50800  1.0 3.0
   52    51    56    57   1.00000 -1.0 2.0
   52    51    56    59  -0.64400  1.0 1.0
   52    51    56    59   0.26850 -1.0 2.0
   56    57    62    63   0.00000  1.0 1.0
   56    57    62    64   0.00000  1.0 1.0
   56    57    62    66   0.90200  1.0 1.0
   56    57    62    66   0.57900 -1.0 2.0
   56    57    62    66  -0.62100  1.0 3.0
   56    59    65    67  -0.82050  1.0 1.0
   56    59    65    67   0.00600 -1.0 2.0
   56    59    65    67   0.04400  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   57    56    59    65   0.39000  1.0 1.0
   57    56    59    65  -0.05800 -1.0 2.0
   57    56    59    65  -0.55150  1.0 3.0
   57    62    66    69  -0.60800  1.0 1.0
   57    62    66    69   1.10050 -1.0 2.0
   57    62    66    69   0.47000  1.0 3.0
   57    62    66    72  -0.60800  1.0 1.0
   57    62    66    72   1.10050 -1.0 2.0
   57    62    66    72   0.47000  1.0 3.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    64   0.33100  1.0 3.0
   58    57    62    66   0.00000  1.0 1.0
   62    66    69    70   0.28000  1.0 3.0
   62    66    69    71   0.28000  1.0 3.0
   62    66    69    53   0.23450  1.0 1.0
   62    66    69    53   0.02050 -1.0 2.0
   62    66    69    53   0.25250  1.0 3.0
   62    66    72    73   0.28000  1.0 3.0
   62    66    72    74   0.28000  1.0 3.0
   62    66    72    75   0.28000  1.0 3.0
   63    62    66    69   0.28000  1.0 3.0
   63    62    66    72   0.28000  1.0 3.0
   64    62    66    69   0.28000  1.0 3.0
   64    62    66    72   0.28000  1.0 3.0
   66    69    53    49   1.53400  1.0 1.0
   66    69    53    49  -0.09950 -1.0 2.0
   66    69    53    49   0.05700  1.0 3.0
   66    69    53    54   0.15000  1.0 3.0
   66    69    53    55   0.15000  1.0 3.0
   69    66    72    73   0.28000  1.0 3.0
   69    66    72    74   0.28000  1.0 3.0
   69    66    72    75   0.28000  1.0 3.0
   70    69    53    49   0.15000  1.0 3.0
   70    69    53    54   0.15000  1.0 3.0
   70    69    53    55   0.15000  1.0 3.0
   71    69    53    49   0.15000  1.0 3.0
   71    69    53    54   0.15000  1.0 3.0
   71    69    53    55   0.15000  1.0 3.0
   53    49    51    52   0.30150 -1.0 2.0
   53    49    51    56   0.65300  1.0 1.0
   53    49    51    56  -0.03850 -1.0 2.0
   53    49    51    56   0.33900  1.0 3.0
   72    66    69    70   0.28000  1.0 3.0
   72    66    69    71   0.28000  1.0 3.0
   72    66    69    53   0.23450  1.0 1.0
   72    66    69    53   0.02050 -1.0 2.0
   72    66    69    53   0.25250  1.0 3.0
   59    56    57    58   7.00000 -1.0 2.0
   59    56    57    62   7.00000 -1.0 2.0
   59    65    67    68   3.00000 -1.0 2.0
   59    65    67    76   1.63150  1.0 1.0
   59    65    67    76   2.92000 -1.0 2.0
   60    59    65    67   0.08050  1.0 3.0
   61    59    65    67   0.08050  1.0 3.0
   65    67    76    77   0.36750  1.0 3.0
   65    67    76    79   0.36750  1.0 3.0
   65    67    76    83   0.30750  1.0 1.0
   65    67    76    83   1.13850 -1.0 2.0
   65    67    76    83   0.38850  1.0 3.0
   67    76    77    78  -0.11250  1.0 3.0
   67    76    77    45  -0.95700  1.0 1.0
   67    76    77    45  -0.18200 -1.0 2.0
   67    76    77    45   0.29450  1.0 3.0
   67    76    77    85  -0.95700  1.0 1.0
   67    76    77    85  -0.18200 -1.0 2.0
   67    76    77    85   0.29450  1.0 3.0
   67    76    79    80  -0.11250  1.0 3.0
   67    76    79    81  -0.11250  1.0 3.0
   67    76    79    82  -0.11250  1.0 3.0
   67    76    83    84   0.91850  1.0 1.0
   67    76    83    84   0.57950  1.0 3.0
   68    67    76    77   0.30150 -1.0 2.0
   68    67    76    79   0.30150 -1.0 2.0
   68    67    76    83   0.30150 -1.0 2.0
   76    77    45    38   0.34400  1.0 1.0
   76    77    45    38   0.09450 -1.0 2.0
   76    77    45    38   0.11100  1.0 3.0
   76    77    45    46   0.15000  1.0 3.0
   76    77    45    47   0.15000  1.0 3.0
   76    77    85    86   0.15000  1.0 3.0
   76    77    85    87   0.15000  1.0 3.0
   76    77    85    88   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   77    76    83    84  -0.11600  1.0 1.0
   77    76    83    84  -0.09450 -1.0 2.0
   77    76    83    84   0.21250  1.0 3.0
   78    77    45    38   0.15000  1.0 3.0
   78    77    45    46   0.15000  1.0 3.0
   78    77    45    47   0.15000  1.0 3.0
   78    77    85    86   0.15000  1.0 3.0
   78    77    85    87   0.15000  1.0 3.0
   78    77    85    88   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    77    85    86   0.15000  1.0 3.0
   45    77    85    87   0.15000  1.0 3.0
   45    77    85    88   0.15000  1.0 3.0
   85    77    45    38   0.34400  1.0 1.0
   85    77    45    38   0.09450 -1.0 2.0
   85    77    45    38   0.11100  1.0 3.0
   85    77    45    46   0.15000  1.0 3.0
   85    77    45    47   0.15000  1.0 3.0
   79    76    77    78   0.15000  1.0 3.0
   79    76    77    45   0.56750  1.0 1.0
   79    76    77    45  -0.07550 -1.0 2.0
   79    76    77    45   0.20000  1.0 3.0
   79    76    77    85   0.56750  1.0 1.0
   79    76    77    85  -0.07550 -1.0 2.0
   79    76    77    85   0.20000  1.0 3.0
   79    76    83    84  -0.11600  1.0 1.0
   79    76    83    84  -0.09450 -1.0 2.0
   79    76    83    84   0.21250  1.0 3.0
   83    76    77    78   0.23400  1.0 3.0
   83    76    77    45   0.86500  1.0 1.0
   83    76    77    45  -0.17500 -1.0 2.0
   83    76    77    45   0.20800  1.0 3.0
   83    76    77    85   0.86500  1.0 1.0
   83    76    77    85  -0.17500 -1.0 2.0
   83    76    77    85   0.20800  1.0 3.0
   83    76    79    80   0.23400  1.0 3.0
   83    76    79    81   0.23400  1.0 3.0
   83    76    79    82   0.23400  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   49    56    51    52  10.50000 -1.0 2.0
   51    59    56    57   1.10000 -1.0 2.0
   62    58    57    56   1.10000 -1.0 2.0
   65    76    67    68  10.50000 -1.0 2.0
END
