* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    155    243     465
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02050    96.56719   -57.18580
    3     1 S   H    _H1_     3     1.02017    83.08194    50.92781
    4     1 S   H    _H2_     4     1.02125    34.58695  -170.80283
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C8_    36     1.82232    98.07790  -178.17329
   34    33 S   HC   _H5_    37     1.09971   106.12771    61.79581
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C9_    38     1.51591   112.82847  -180.00000
   39    33 S   OS   _O33    52     1.43376   113.30542   -52.72007
   40    38 S   CM   _C10    39     1.35304   123.55791   -67.10614
   41    40 S   OS   _O34    40     1.38119   124.07890  -177.68497
   42    40 S   OH   _O36    83     1.38207   120.04885     1.86152
   43    42 S   HO   _H19    84     0.96122   109.70095  -179.90935
   44    41 S   CT   _C11    41     1.42914   115.83514    16.09472
   45    44 S   HC   _H14    42     1.09433   107.43762  -166.60335
   46    44 S   HC   _H15    43     1.09642   108.92469    77.60683
   47    44 S   CT   _C12    44     1.52236   111.44275   -46.29352
   48    47 S   HC   _H16    45     1.09667   109.36729  -177.95025
   49    47 S   HC   _H17    46     1.09581   108.12725   -60.39284
   50    38 S   CT   _C13    47     1.51450   115.32919   115.58298
   51    50 S   CT   _C6_    48     1.54825   111.52775   -38.90853
   52    51 S   HC   _H3_    49     1.10304   107.38217   167.77468
   53    50 S   OH   _O35    81     1.44174   106.14620    77.29614
   54    53 S   HO   _H18    82     0.96485   105.64217  -179.98022
   55    51 S   CO   _C7_    50     1.55192   111.58567    49.17357
   56    55 S   HC   _H4_    51     1.09653   111.58471  -130.87044
   57    51 S   CM   _C5_    76     1.50495   113.72445   -76.26781
   58    57 S   HC   _H13    77     1.08653   117.14258    62.71377
   59    55 S   OS1  _O37    53     1.43104   107.70045   112.92423
   60    57 S   CM   _C4_    78     1.33731   124.01372  -117.34550
   61    60 S   HC   _H11    79     1.08472   120.36707  -179.96574
   62    60 S   HC   _H12    80     1.08401   121.55734     0.03956
   63    59 S   CO1  _C14    54     1.41746   111.15760   179.69036
   64    63 S   HC   _H6_    55     1.09713   107.44778    60.00728
   65    63 S   CT   _C15    56     1.52857   107.83307   179.62570
   66    65 S   HC   _H7_    57     1.09703   110.71611    51.33589
   67    65 S   CT   _C16    58     1.52844   111.33891   173.93638
   68    67 S   HC   _H8_    59     1.09723   110.92359    74.80936
   69    65 S   OH5  _O42    74     1.42696   109.50923   -66.30150
   70    69 S   HO   _H25    75     0.97010   106.44647   -61.61055
   71    67 S   CT   _C17    60     1.52823   111.22359   -48.61348
   72    71 S   HC   _H9_    61     1.09738   108.96658   -72.58145
   73    67 S   OH5  _O41    72     1.42901   109.18785  -168.30466
   74    73 S   HO   _H24    73     0.96905   106.34340    61.34898
   75    71 S   CT   _C18    62     1.53104   110.77844    49.59904
   76    75 S   HC   _H10    63     1.09780   110.53234    64.79312
   77    71 S   OH5  _O40    70     1.42598   108.07902   170.65429
   78    77 S   HO   _H23    71     0.96952   106.50448   -59.97274
   79    63 S   OS1  _O38    64     1.42566   109.81559   -59.90398
   80    75 S   CT   _C19    65     1.52523   112.21332  -175.07145
   81    80 S   HC   _H20    66     1.09017   110.00857   -60.06108
   82    80 S   HC   _H21    67     1.09080   109.92596   179.04019
   83    80 S   OH5  _O39    68     1.41535   108.59999    59.52090
   84    83 S   HO   _H22    69     0.97290   107.12176   179.94405
  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   7   5   4   3
  13   5   2   1   1  16   9  10   9   3   1   8   5   4   9   4
   3  10  12   7   3   1   9   3   5   3   8   2   1   1  13   6
  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    50    55    39  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    47    50    51    55    56    39    59    53    42  
   38    40    50    55    39  
   36    37  
   37  
    0  
   40    41    44    47    48    49    50    51    52    55    39    57    53    54    42    43  
   59    63    57    40    50    51    52    55    56  
   41    44    45    46    47    50    51    53    42    43  
   44    45    46    47    48    49    50    42    43  
   43    44    50  
    0  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    55    57    53    54  
   49    50    51    53  
   50    51    53  
   51    52    55    56    59    57    58    60    53    54  
   52    55    56    59    63    57    58    60    61    62    53    54  
   55    56    59    57    58    60    53  
   54    55    57  
    0  
   56    59    63    64    65    79    57    58    60  
   59    63    57  
   58    60    61    62    59  
   60    61    62  
   63    64    65    66    67    75    79    69  
   61    62  
   62  
    0  
   64    65    66    67    68    71    75    76    79    80    73    69    70  
   65    66    67    75    79    69  
   66    67    68    71    72    75    79    77    73    74    69    70  
   67    68    71    79    73    69    70  
   68    71    72    75    76    79    80    77    78    73    74    69    70  
   71    72    75    77    73    74    69  
   70    71    73    79  
    0  
   72    75    76    79    80    81    82    83    77    78    73    74  
   75    76    79    80    77    78    73  
   74    75    77  
    0  
   76    79    80    81    82    83    84    77    78  
   79    80    81    82    83    77  
   78    79    80  
    0  
   80    81    82    83  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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
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   320.000  1.410
   38    40   549.000  1.340
   38    50   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   320.000  1.410
   51    52   340.000  1.090
   51    55   250.000  1.527
   51    57   317.000  1.510
   55    56   340.000  1.090
   55    39   320.000  1.380
   55    59   320.000  1.380
   59    63   370.000  1.399
   63    64   360.000  1.097
   63    65   255.000  1.525
   63    79   370.000  1.399
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   355.000  1.421
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   355.000  1.421
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   355.000  1.421
   75    76   340.000  1.090
   75    79   335.000  1.422
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   355.000  1.421
   83    84   580.000  0.967
   77    78   580.000  0.967
   73    74   580.000  0.967
   69    70   580.000  0.967
   57    58   340.000  1.080
   57    60   549.000  1.340
   60    61   340.000  1.080
   60    62   340.000  1.080
   53    54   553.000  0.945
   42    43   553.000  0.945
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    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    50    65.00000  117.92700
   33    39    55    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    80.00000  120.01400
   38    40    42    80.00000  121.38400
   38    50    47    70.00000  112.02700
   38    50    51    70.00000  112.02700
   38    50    53    90.00000  110.39200
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    50.00000  109.50000
   49    47    48    33.00000  107.80000
   50    38    40    70.00000  124.00000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    55    75.00000  109.43000
   50    51    57    70.00000  112.02700
   50    53    54    55.00000  108.50000
   51    55    56    45.00000  112.01100
   51    55    39    90.00000  108.56700
   51    55    59    90.00000  108.56700
   51    57    58    35.00000  117.00000
   51    57    60    70.00000  124.00000
   55    51    52    45.00000  108.72000
   55    59    63    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    55    56    35.00000  109.50000
   59    55    56    35.00000  109.50000
   59    55    39    92.60000  111.55000
   59    63    64    60.00000  105.75400
   59    63    65    90.00000  109.70700
   59    63    79   110.00000  113.16000
   63    65    66    45.00000  109.54000
   63    65    67    70.00000  111.10000
   63    65    69    90.00000  109.42000
   63    79    75    90.00000  112.10700
   65    63    64    45.00000  111.65000
   65    67    68    37.50000  110.70000
   65    67    71    58.35000  112.70000
   65    67    73    90.00000  111.45300
   65    69    70    65.00000  108.53500
   67    65    66    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    58.35000  112.70000
   67    71    77    90.00000  111.45300
   67    73    74    65.00000  108.53500
   71    67    68    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    95.00000  107.88500
   71    75    80    58.35000  112.70000
   71    77    78    65.00000  108.53500
   75    71    72    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    90.00000  111.45300
   79    63    64    60.00000  105.75400
   79    63    65    90.00000  109.70700
   79    75    76    55.00000  108.98800
   80    75    76    37.50000  110.70000
   80    75    79    95.00000  107.88500
   80    83    84    65.00000  108.53500
   82    80    81    33.00000  107.80000
   83    80    81    60.00000  109.39000
   83    80    82    60.00000  109.39000
   77    71    72    60.00000  109.39000
   77    71    75    90.00000  111.45300
   73    67    68    60.00000  109.39000
   73    67    71    90.00000  111.45300
   69    65    66    60.00000  109.39000
   69    65    67    90.00000  111.45300
   57    51    52    35.00000  109.50000
   57    51    55    70.00000  112.02700
   57    60    61    35.00000  120.00000
   57    60    62    35.00000  120.00000
   60    57    58    35.00000  120.00000
   62    60    61    35.00000  117.00000
   53    50    51    50.00000  109.50000
   42    40    41   115.00000  116.36000
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   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    50   0.30250  1.0 1.0
   29    33    38    50  -0.14950 -1.0 2.0
   29    33    38    50   0.36900  1.0 3.0
   29    33    39    55   0.14700  1.0 1.0
   29    33    39    55  -1.16150 -1.0 2.0
   29    33    39    55   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    38    50    47   0.46850  1.0 1.0
   33    38    50    47   0.08550 -1.0 2.0
   33    38    50    47   0.09800  1.0 3.0
   33    38    50    51   0.46850  1.0 1.0
   33    38    50    51   0.08550 -1.0 2.0
   33    38    50    51   0.09800  1.0 3.0
   33    38    50    53   0.18000  1.0 1.0
   33    38    50    53   0.16450 -1.0 2.0
   33    38    50    53   0.04450  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    50   0.34800  1.0 3.0
   34    33    39    55   0.37050  1.0 3.0
   38    33    39    55  -0.77900  1.0 1.0
   38    33    39    55  -0.36900 -1.0 2.0
   38    33    39    55   0.40400  1.0 3.0
   38    40    41    44  -2.26850  1.0 1.0
   38    40    41    44   3.39050 -1.0 2.0
   38    40    42    43  -0.66100  1.0 1.0
   38    40    42    43   1.20850 -1.0 2.0
   38    40    42    43  -0.36000  1.0 3.0
   38    50    51    52   0.15000  1.0 3.0
   38    50   -51    55   0.34400  1.0 1.0
   38    50   -51    55   0.09450 -1.0 2.0
   38    50   -51    55   0.11100  1.0 3.0
   38    50    51    57   0.31000  1.0 1.0
   38    50    51    57   0.14700 -1.0 2.0
   38    50    51    57   0.07550  1.0 3.0
   38    50    53    54  -0.07800  1.0 1.0
   38    50    53    54  -0.21500 -1.0 2.0
   38    50    53    54  -0.03150  1.0 3.0
   40    38    50    47   0.09850  1.0 1.0
   40    38    50    47   0.15250 -1.0 2.0
   40    38    50    47  -0.50650  1.0 3.0
   40    38    50    51   0.09850  1.0 1.0
   40    38    50    51   0.15250 -1.0 2.0
   40    38    50    51  -0.50650  1.0 3.0
   40    38    50    53   0.67800  1.0 1.0
   40    38    50    53   0.47050 -1.0 2.0
   40    38    50    53  -0.62500  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46   0.08050  1.0 3.0
   40    41   -44    47  -0.46850  1.0 1.0
   40    41   -44    47   0.09300 -1.0 2.0
   40    41   -44    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    47    48   0.23400  1.0 3.0
   41    44    47    49   0.23400  1.0 3.0
   41    44    47    50   0.62750  1.0 1.0
   41    44    47    50  -0.30950 -1.0 2.0
   41    44    47    50   0.27300  1.0 3.0
   44    47   -50    38   0.34400  1.0 1.0
   44    47   -50    38   0.09450 -1.0 2.0
   44    47   -50    38   0.11100  1.0 3.0
   44    47    50    51   0.56750  1.0 1.0
   44    47    50    51  -0.07550 -1.0 2.0
   44    47    50    51   0.20000  1.0 3.0
   44    47    50    53   0.86500  1.0 1.0
   44    47    50    53  -0.17500 -1.0 2.0
   44    47    50    53   0.20800  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    51    52   0.15000  1.0 3.0
   47    50    51    55   3.97050  1.0 1.0
   47    50    51    57   0.34400  1.0 1.0
   47    50    51    57   0.09450 -1.0 2.0
   47    50    51    57   0.11100  1.0 3.0
   47    50    53    54  -0.11600  1.0 1.0
   47    50    53    54  -0.09450 -1.0 2.0
   47    50    53    54   0.21250  1.0 3.0
   48    47    50    38   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    53   0.23400  1.0 3.0
   49    47    50    38   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    53   0.23400  1.0 3.0
   50    38   -40    41   7.00000 -1.0 2.0
   50    38    40    42   7.00000 -1.0 2.0
   50    51    55    56   0.15000  1.0 3.0
   50    51    55    39   0.62750  1.0 1.0
   50    51    55    39  -0.30950 -1.0 2.0
   50    51    55    39   0.27300  1.0 3.0
   50    51    55    59   0.62750  1.0 1.0
   50    51    55    59  -0.30950 -1.0 2.0
   50    51    55    59   0.27300  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    60   0.09850  1.0 1.0
   50    51    57    60   0.15250 -1.0 2.0
   50    51    57    60  -0.50650  1.0 3.0
   51    50    53    54  -0.11600  1.0 1.0
   51    50    53    54  -0.09450 -1.0 2.0
   51    50    53    54   0.21250  1.0 3.0
   51    55   -39    33   0.06250  1.0 1.0
   51    55   -39    33  -0.01100 -1.0 2.0
   51    55   -39    33   0.28050  1.0 3.0
   51    55    59    63   0.06250  1.0 1.0
   51    55    59    63  -0.01100 -1.0 2.0
   51    55    59    63   0.28050  1.0 3.0
   51    57    60    61   7.00000 -1.0 2.0
   51    57    60    62   7.00000 -1.0 2.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    39   0.23400  1.0 3.0
   52    51    55    59   0.23400  1.0 3.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    60   0.00000  1.0 1.0
   55    51    57    58   0.00000  1.0 1.0
   55    51    57    60   0.09850  1.0 1.0
   55    51    57    60   0.15250 -1.0 2.0
   55    51    57    60  -0.50650  1.0 3.0
   55    59    63    64   0.37050  1.0 3.0
   55    59    63    65   0.06250  1.0 1.0
   55    59    63    65  -0.01100 -1.0 2.0
   55    59    63    65   0.28050  1.0 3.0
   55    59    63    79  -0.12700  1.0 1.0
   55    59    63    79  -1.16200 -1.0 2.0
   55    59    63    79   0.58800  1.0 3.0
   56    55    39    33   0.37050  1.0 3.0
   56    55    59    63   0.37050  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33   -38    50   0.09700  1.0 1.0
   39    33   -38    50   0.15600 -1.0 2.0
   39    33   -38    50  -0.50800  1.0 3.0
   39    55    59    63  -0.53350  1.0 1.0
   39    55    59    63  -0.78350 -1.0 2.0
   39    55    59    63   0.33750  1.0 3.0
   59    55    39    33  -0.81800  1.0 1.0
   59    63    65    66   0.23400  1.0 3.0
   59    63    65    67   0.62750  1.0 1.0
   59    63    65    67  -0.30950 -1.0 2.0
   59    63    65    67   0.27300  1.0 3.0
   59    63    65    69   1.51850  1.0 1.0
   59    63    79    75  -0.70400  1.0 1.0
   59    63    79    75  -0.90350 -1.0 2.0
   63    65    67    68   0.15000  1.0 3.0
   63    65    67    71   0.56750  1.0 1.0
   63    65    67    71  -0.07550 -1.0 2.0
   63    65    67    71   0.20000  1.0 3.0
   63    65    67    73  -0.47750  1.0 1.0
   63    65    69    70   0.29150  1.0 1.0
   63    65    69    70  -0.28350 -1.0 2.0
   63    65    69    70   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    69   0.23400  1.0 3.0
   64    63    79    75   0.37050  1.0 3.0
   65    63    79    75   0.06250  1.0 1.0
   65    63    79    75  -0.01100 -1.0 2.0
   65    63    79    75   0.28050  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67   -71    75   0.56750  1.0 1.0
   65    67   -71    75  -0.07550 -1.0 2.0
   65    67   -71    75   0.20000  1.0 3.0
   65    67    71    77  -0.47750  1.0 1.0
   65    67    73    74   0.29150  1.0 1.0
   65    67    73    74  -0.28350 -1.0 2.0
   65    67    73    74   0.43600  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    67    73   0.23400  1.0 3.0
   66    65    69    70   0.19450  1.0 3.0
   67    65    69    70   0.29150  1.0 1.0
   67    65    69    70  -0.28350 -1.0 2.0
   67    65    69    70   0.43600  1.0 3.0
   67    71    75    76   0.15000  1.0 3.0
   67    71    75    79   0.62750  1.0 1.0
   67    71    75    79  -0.30950 -1.0 2.0
   67    71    75    79   0.27300  1.0 3.0
   67    71    75    80   0.56750  1.0 1.0
   67    71    75    80  -0.07550 -1.0 2.0
   67    71    75    80   0.20000  1.0 3.0
   67    71    77    78   0.29150  1.0 1.0
   67    71    77    78  -0.28350 -1.0 2.0
   67    71    77    78   0.43600  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.15000  1.0 3.0
   68    67    71    77   0.23400  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74   0.29150  1.0 1.0
   71    67    73    74  -0.28350 -1.0 2.0
   71    67    73    74   0.43600  1.0 3.0
   71    75   -79    63   0.06250  1.0 1.0
   71    75   -79    63  -0.01100 -1.0 2.0
   71    75   -79    63   0.28050  1.0 3.0
   71    75    80    81   0.15000  1.0 3.0
   71    75    80    82   0.15000  1.0 3.0
   71    75    80    83  -0.47750  1.0 1.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.23400  1.0 3.0
   72    71    75    80   0.15000  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78   0.29150  1.0 1.0
   75    71    77    78  -0.28350 -1.0 2.0
   75    71    77    78   0.43600  1.0 3.0
   75    80    83    84   0.29150  1.0 1.0
   75    80    83    84  -0.28350 -1.0 2.0
   75    80    83    84   0.43600  1.0 3.0
   76    75    79    63   0.37050  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.23400  1.0 3.0
   79    63    65    66   0.23400  1.0 3.0
   79    63   -65    67   0.62750  1.0 1.0
   79    63   -65    67  -0.30950 -1.0 2.0
   79    63   -65    67   0.27300  1.0 3.0
   79    63    65    69   1.51850  1.0 1.0
   79    75    80    81   0.23400  1.0 3.0
   79    75    80    82   0.23400  1.0 3.0
   79    75    80    83   1.51850  1.0 1.0
   80    75    79    63   0.06250  1.0 1.0
   80    75    79    63  -0.01100 -1.0 2.0
   80    75    79    63   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   1.51850  1.0 1.0
   77    71    75    80  -0.47750  1.0 1.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75  -0.47750  1.0 1.0
   73    67    71    77   3.77950  1.0 1.0
   69    65    67    68   0.23400  1.0 3.0
   69    65    67    71  -0.47750  1.0 1.0
   69    65    67    73   3.77950  1.0 1.0
   57    51    55    56   0.15000  1.0 3.0
   57    51    55    39   0.61850  1.0 1.0
   57    51    55    39  -0.22750 -1.0 2.0
   57    51    55    39   0.15300  1.0 3.0
   57    51    55    59   0.61850  1.0 1.0
   57    51    55    59  -0.22750 -1.0 2.0
   57    51    55    59   0.15300  1.0 3.0
   58    57    60    61   7.00000 -1.0 2.0
   58    57    60    62   7.00000 -1.0 2.0
   53    50    51    52   0.23400  1.0 3.0
   53    50    51    55   0.86500  1.0 1.0
   53    50    51    55  -0.17500 -1.0 2.0
   53    50    51    55   0.20800  1.0 3.0
   53    50    51    57   1.05650  1.0 1.0
   53    50    51    57   0.15600 -1.0 2.0
   53    50    51    57   0.53150  1.0 3.0
   42    40    41    44   2.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    50    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   51    58    57    60  15.00000 -1.0 2.0
   61    62    60    57  15.00000 -1.0 2.0
END
