* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    165    253     472
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02054    64.57270    75.33659
    3     1 S   H    _H1_     3     1.02136    47.89838  -129.62148
    4     1 S   H    _H2_     4     1.02128   105.60864   -28.34605
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C21    36     1.80859    98.54729   -78.14415
   34    33 S   HC   _H20    37     1.09344   109.15389   -59.17106
   35    33 S   HC   _H21    38     1.09454   109.34091    58.81400
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C19    39     1.48453   110.07704   180.00000
   40    39 S   CM   _C20    40     1.33549   128.68926    90.34558
   41    40 S   OS   _O35    41     1.39568   114.77828  -176.69216
   42    40 S   OH   _O36    85     1.36781   124.57573     1.00464
   43    42 S   HO   _H19    86     0.96702   110.51306   180.00000
   44    41 S   CT   _C17    42     1.44731   101.90175   -19.75782
   45    44 S   HC   _H6_    43     1.10085   106.20265   -86.34829
   46    44 S   CT   _C16    44     1.53288   111.91991   154.27584
   47    46 S   HC   _H5_    45     1.09785   110.36959   -71.01027
   48    39 S   CT   _C18    53     1.49709   123.81831   -83.48927
   49    48 S   HC   _H7_    54     1.09992   106.06542    81.68466
   50    46 S   CM   _C12    46     1.53704   112.27368   166.34744
   51    50 S   CM   _C11    47     1.35024   127.93204    52.19242
   52    50 S   CT   _C13    74     1.52590   108.22205  -126.13923
   53    52 S   HC   _H17    75     1.09534   110.25824   122.16200
   54    52 S   HC   _H18    76     1.09448   110.87549  -116.36804
   55    51 S   CT   _C10    48     1.51714   124.90833     1.26362
   56    55 S   HC   _H15    49     1.09690   108.67819    73.19799
   57    55 S   HC   _H16    50     1.09909   107.89990  -172.86933
   58    51 S   CT   _C23    69     1.51185   122.06958   179.54889
   59    58 S   HC   _H25    70     1.08482   109.45611   120.01389
   60    58 S   HC   _H26    71     1.08428   108.83213    -0.28531
   61    52 S   C3T  _C14    77     1.49480   107.26404     3.46266
   62    61 S   HC   _H4_    78     1.07718   117.40259   144.08381
   63    55 S   CT   _C9_    51     1.53626   117.65060   -52.84281
   64    63 S   HC   _H3_    52     1.09771   107.12165  -170.14705
   65    58 S   OH   _O38    72     1.41129   109.24488  -119.70715
   66    65 S   HO   _H27    73     0.97385   107.31979  -179.97202
   67    46 S   C3T  _C15    79     1.51718   111.69358    47.93205
   68    63 S   OS   _O34    55     1.42428   108.83525   -54.96928
   69    61 S   O3T  _O37    80     1.43095   115.61042   -65.34173
   70    67 S   CT   _C22    81     1.48106   124.57637   -26.41747
   71    70 S   HC   _H22    82     1.10564   112.03469  -179.96574
   72    70 S   HC   _H23    83     1.10561   112.08366    60.03016
   73    70 S   HC   _H24    84     1.10527   112.10445   -60.00757
   74    68 S   CO4  _C8_    56     1.36376   115.97558   -85.35917
   75    74 S   O    _O33    57     1.22268   125.66779    -0.08623
   76    74 S   CM   _C6_    58     1.49504   109.66719  -179.76593
   77    76 S   CM   _C5_    59     1.34556   115.86805  -120.30909
   78    77 S   HC   _H11    60     1.08809   119.50245   178.71931
   79    76 S   CT   _C7_    65     1.49971   118.34457    58.26767
   80    79 S   HC   _H12    66     1.09282   112.98618   -88.32435
   81    79 S   HC   _H13    67     1.09586   110.48634    30.45544
   82    79 S   HC   _H14    68     1.09470   110.41141   150.52345
   83    77 S   CT   _C4_    61     1.49619   127.21614     0.03426
   84    83 S   HC   _H8_    62     1.09455   109.43974   -91.25620
   85    83 S   HC   _H9_    63     1.09220   113.71289   148.90983
   86    83 S   HC   _H10    64     1.09430   109.85961    27.23734
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  16   7  19   8  11
   4  17  16   9   5   4  10   5   4   5   3   2   7   3   5   2
   1   1   5   5   4   3   2   1   1   9   3  10   9   5   4   2
   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    63    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    44    45    46    55    63    64    48    49    68    42    43  
   41    44    45    46    63    48    49    42    43  
   44    45    46    47    50    63    48    49    67    42    43  
   43    44    48  
    0  
   45    46    47    50    51    55    63    64    48    49    68    52    61    67    69    70  
   46    47    50    63    48    49    67  
   47    50    51    55    63    48    49    58    52    53    54    61    62    67    69    70    71    72    73  
   50    51    48    52    61    67    69    70  
   49    68    74    67    50    51    55    56    57    63    64  
   68    55    63    64  
   51    55    56    57    63    58    59    60    65    52    53    54    61    62    67    69    70  
   55    56    57    63    64    68    58    59    60    65    66    52    53    54    61    67  
   53    54    61    62    67    69    70    55    58  
   54    61    62    67    69  
   61    62    67    69  
   56    57    63    64    68    74    58    59    60    65  
   57    63    64    68    58  
   63    64    68    58  
   59    60    65    66    63  
   60    65    66  
   65    66  
   62    67    69    70    71    72    73  
   67    69    70  
   64    68    74    75    76  
   68    74  
   66  
    0  
   69    70    71    72    73  
   74    75    76    77    79  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    83    79    80    81    82  
   76    77    79  
   77    78    83    84    85    86    79    80    81    82  
   78    83    84    85    86    79    80    81    82  
   83    84    85    86    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    48   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   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    67   275.000  1.510
   50    51   549.000  1.340
   50    52   317.000  1.510
   51    55   317.000  1.510
   51    58   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    48   268.000  1.529
   63    68   320.000  1.410
   48    49   340.000  1.090
   68    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    65   320.000  1.410
   65    66   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   275.000  1.510
   61    62   340.000  1.088
   61    67   260.000  1.509
   61    69   335.000  1.432
   67    69   335.000  1.432
   67    70   275.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    48    44    70.00000  112.02700
   39    48    63    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    67    70.00000  112.37300
   44    48    63    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    70.00000  124.00000
   46    50    52    65.00000  117.92700
   46    67    61    60.00000  120.94000
   46    67    69    80.00000  116.47100
   46    67    70    58.35000  112.70000
   50    46    47    35.00000  109.50000
   50    51    55    70.00000  124.00000
   50    51    58    70.00000  124.00000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    61    70.00000  112.02700
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    63    70.00000  112.02700
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    65    90.00000  110.39200
   55    63    64    37.50000  110.70000
   55    63    48    58.35000  112.70000
   55    63    68    50.00000  109.50000
   57    55    56    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    48    49    37.50000  110.70000
   63    68    74    83.00000  116.90000
   48    39    40    70.00000  124.00000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    63    64    37.50000  110.70000
   68    63    64    35.00000  109.50000
   68    63    48    50.00000  109.50000
   68    74    75    83.00000  123.40000
   68    74    76    90.00000  111.29400
   74    76    77    65.00000  118.96000
   74    76    79    65.00000  116.34900
   76    74    75    80.00000  123.72100
   76    77    78    35.00000  120.00000
   76    77    83    70.00000  124.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   77    83    84    35.00000  109.50000
   77    83    85    35.00000  109.50000
   77    83    86    35.00000  109.50000
   83    77    78    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   79    76    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   58    51    55    65.00000  117.92700
   58    65    66    55.00000  108.50000
   60    58    59    33.00000  107.80000
   65    58    59    35.00000  109.50000
   65    58    60    35.00000  109.50000
   52    50    51    70.00000  124.00000
   52    61    62    40.00000  115.04500
   52    61    67    60.00000  120.94000
   52    61    69    80.00000  116.47100
   54    52    53    33.00000  107.80000
   61    52    53    45.00000  109.38400
   61    52    54    45.00000  109.38400
   61    67    69    15.00000   60.43100
   61    67    70    60.00000  120.94000
   61    69    67    15.00000   59.14900
   67    46    47    45.00000  109.38400
   67    46    50    70.00000  112.02700
   67    61    62    37.50000  117.20000
   67    70    71    45.00000  109.38400
   67    70    72    45.00000  109.38400
   67    70    73    45.00000  109.38400
   69    61    62    50.00000  114.27700
   69    61    67    15.00000   60.43100
   70    67    69    80.00000  116.47100
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    44   0.46850  1.0 1.0
   33    39    48    44   0.08550 -1.0 2.0
   33    39    48    44   0.09800  1.0 3.0
   33    39    48    63   0.46850  1.0 1.0
   33    39    48    63   0.08550 -1.0 2.0
   33    39    48    63   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -48    44   0.09850  1.0 1.0
   40    39   -48    44   0.15250 -1.0 2.0
   40    39   -48    44  -0.50650  1.0 3.0
   40    39    48    63   0.09850  1.0 1.0
   40    39    48    63   0.15250 -1.0 2.0
   40    39    48    63  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.46850  1.0 1.0
   40    41    44    46   0.09300 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    48  -0.46850  1.0 1.0
   40    41   -44    48   0.09300 -1.0 2.0
   40    41   -44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    50   0.61850  1.0 1.0
   41    44    46    50  -0.22750 -1.0 2.0
   41    44    46    50   0.15300  1.0 3.0
   41    44    46    67  -0.26800  1.0 1.0
   41    44    46    67   0.69150 -1.0 2.0
   41    44    46    67  -0.48750  1.0 3.0
   41    44   -48    39   0.61850  1.0 1.0
   41    44   -48    39  -0.22750 -1.0 2.0
   41    44   -48    39   0.15300  1.0 3.0
   41    44    48    63   0.62750  1.0 1.0
   41    44    48    63  -0.30950 -1.0 2.0
   41    44    48    63   0.27300  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.09850  1.0 1.0
   44    46    50    51   0.15250 -1.0 2.0
   44    46    50    51  -0.50650  1.0 3.0
   44    46    50    52   0.46850  1.0 1.0
   44    46    50    52   0.08550 -1.0 2.0
   44    46    50    52   0.09800  1.0 3.0
   44    46    67    61   0.07850  1.0 1.0
   44    46    67    61  -0.03950 -1.0 2.0
   44    46    67    61   0.67350  1.0 3.0
   44    46    67    69   0.02550  1.0 1.0
   44    46    67    69  -0.02600 -1.0 2.0
   44    46    67    69   1.20400  1.0 3.0
   44    46    67    70   0.56750  1.0 1.0
   44    46    67    70  -0.07550 -1.0 2.0
   44    46    67    70   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    67   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    63   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    63   0.56750  1.0 1.0
   46    44    48    63  -0.07550 -1.0 2.0
   46    44    48    63   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    55   7.00000 -1.0 2.0
   46    50    51    58   7.00000 -1.0 2.0
   46    50    52    53   0.34800  1.0 3.0
   46    50    52    54   0.34800  1.0 3.0
   46    50   -52    61   0.46850  1.0 1.0
   46    50   -52    61   0.08550 -1.0 2.0
   46    50   -52    61   0.09800  1.0 3.0
   46    67   -69    61   0.06250  1.0 1.0
   46    67   -69    61  -0.01100 -1.0 2.0
   46    67   -69    61   0.28050  1.0 3.0
   46    67    70    71   0.15000  1.0 3.0
   46    67    70    72   0.15000  1.0 3.0
   46    67    70    73   0.15000  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.34800  1.0 3.0
   47    46    67    61   0.15000  1.0 3.0
   47    46    67    69   0.23400  1.0 3.0
   47    46    67    70   0.15000  1.0 3.0
   50    46   -67    61   0.34400  1.0 1.0
   50    46   -67    61   0.09450 -1.0 2.0
   50    46   -67    61   0.11100  1.0 3.0
   50    46    67    69   0.61850  1.0 1.0
   50    46    67    69  -0.22750 -1.0 2.0
   50    46    67    69   0.15300  1.0 3.0
   50    46    67    70   0.34400  1.0 1.0
   50    46    67    70   0.09450 -1.0 2.0
   50    46    67    70   0.11100  1.0 3.0
   50    51    55    56   0.00000  1.0 1.0
   50    51    55    57   0.00000  1.0 1.0
   50    51    55    63   0.09850  1.0 1.0
   50    51    55    63   0.15250 -1.0 2.0
   50    51    55    63  -0.50650  1.0 3.0
   50    51    58    59   0.00000  1.0 1.0
   50    51    58    60   0.00000  1.0 1.0
   50    51    58    65   0.67800  1.0 1.0
   50    51    58    65   0.47050 -1.0 2.0
   50    51    58    65  -0.62500  1.0 3.0
   50    52    61    62   0.15000  1.0 3.0
   50    52   -61    67   0.34400  1.0 1.0
   50    52   -61    67   0.09450 -1.0 2.0
   50    52   -61    67   0.11100  1.0 3.0
   50    52   -61    69   0.61850  1.0 1.0
   50    52   -61    69  -0.22750 -1.0 2.0
   50    52   -61    69   0.15300  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    61   0.09850  1.0 1.0
   51    50    52    61   0.15250 -1.0 2.0
   51    50    52    61  -0.50650  1.0 3.0
   51    55    63    64   0.15000  1.0 3.0
   51    55    63    48   0.34400  1.0 1.0
   51    55    63    48   0.09450 -1.0 2.0
   51    55    63    48   0.11100  1.0 3.0
   51    55    63    68   0.61850  1.0 1.0
   51    55    63    68  -0.22750 -1.0 2.0
   51    55    63    68   0.15300  1.0 3.0
   51    58    65    66  -0.07800  1.0 1.0
   51    58    65    66  -0.21500 -1.0 2.0
   51    58    65    66  -0.03150  1.0 3.0
   55    51    58    59   0.34800  1.0 3.0
   55    51    58    60   0.34800  1.0 3.0
   55    51    58    65   0.18000  1.0 1.0
   55    51    58    65   0.16450 -1.0 2.0
   55    51    58    65   0.04450  1.0 3.0
   55    63    48    39   0.34400  1.0 1.0
   55    63    48    39   0.09450 -1.0 2.0
   55    63    48    39   0.11100  1.0 3.0
   55    63    48    44   0.56750  1.0 1.0
   55    63    48    44  -0.07550 -1.0 2.0
   55    63    48    44   0.20000  1.0 3.0
   55    63    48    49   0.15000  1.0 3.0
   55    63    68    74  -0.25900  1.0 1.0
   55    63    68    74  -0.47000 -1.0 2.0
   55    63    68    74   0.11750  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    48   0.15000  1.0 3.0
   56    55    63    68   0.23400  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    48   0.15000  1.0 3.0
   57    55    63    68   0.23400  1.0 3.0
   63    68    74    75   3.00000 -1.0 2.0
   63    68    74    76   2.00000 -1.0 2.0
   64    63    48    39   0.15000  1.0 3.0
   64    63    48    44   0.15000  1.0 3.0
   64    63    48    49   0.15000  1.0 3.0
   64    63    68    74   0.08050  1.0 3.0
   48    39   -40    41   7.00000 -1.0 2.0
   48    39    40    42   7.00000 -1.0 2.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    67   0.47050  1.0 1.0
   48    44    46    67   0.03900 -1.0 2.0
   48    44    46    67   0.20100  1.0 3.0
   48    63    68    74  -0.25900  1.0 1.0
   48    63    68    74  -0.47000 -1.0 2.0
   48    63    68    74   0.11750  1.0 3.0
   68    63    48    39   0.61850  1.0 1.0
   68    63    48    39  -0.22750 -1.0 2.0
   68    63    48    39   0.15300  1.0 3.0
   68    63    48    44   0.62750  1.0 1.0
   68    63    48    44  -0.30950 -1.0 2.0
   68    63    48    44   0.27300  1.0 3.0
   68    63    48    49   0.23400  1.0 3.0
   68    74    76    77  -0.56150  1.0 1.0
   68    74    76    77   2.19150 -1.0 2.0
   68    74    76    79  -0.15000  1.0 1.0
   68    74    76    79   0.89550 -1.0 2.0
   68    74    76    79  -0.06900  1.0 3.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    83   7.00000 -1.0 2.0
   74    76    79    80   0.15000  1.0 3.0
   74    76    79    81   0.15000  1.0 3.0
   74    76    79    82   0.15000  1.0 3.0
   75    74    76    77   1.00000 -1.0 2.0
   75    74    76    79  -0.64400  1.0 1.0
   75    74    76    79   0.26850 -1.0 2.0
   76    77    83    84   0.00000  1.0 1.0
   76    77    83    85   0.00000  1.0 1.0
   76    77    83    86   0.00000  1.0 1.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    82   0.00000  1.0 1.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    85   0.33100  1.0 3.0
   78    77    83    86   0.33100  1.0 3.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    83   7.00000 -1.0 2.0
   58    51    55    56   0.34800  1.0 3.0
   58    51    55    57   0.34800  1.0 3.0
   58    51    55    63   0.46850  1.0 1.0
   58    51    55    63   0.08550 -1.0 2.0
   58    51    55    63   0.09800  1.0 3.0
   59    58    65    66   0.19450  1.0 3.0
   60    58    65    66   0.19450  1.0 3.0
   52    50    51    55   7.00000 -1.0 2.0
   52    50    51    58   7.00000 -1.0 2.0
   52    61   -67    46   0.56750  1.0 1.0
   52    61   -67    46  -0.07550 -1.0 2.0
   52    61   -67    46   0.20000  1.0 3.0
   52    61   -67    69   0.02550  1.0 1.0
   52    61   -67    69  -0.02600 -1.0 2.0
   52    61   -67    69   1.20400  1.0 3.0
   52    61    67    70   0.56750  1.0 1.0
   52    61    67    70  -0.07550 -1.0 2.0
   52    61    67    70   0.20000  1.0 3.0
   52    61   -69    67   0.06250  1.0 1.0
   52    61   -69    67  -0.01100 -1.0 2.0
   52    61   -69    67   0.28050  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    67   0.15000  1.0 3.0
   53    52    61    69   0.23400  1.0 3.0
   54    52    61    62   0.15000  1.0 3.0
   54    52    61    67   0.15000  1.0 3.0
   54    52    61    69   0.23400  1.0 3.0
   61    67    70    71   0.15000  1.0 3.0
   61    67    70    72   0.15000  1.0 3.0
   61    67    70    73   0.15000  1.0 3.0
   62    61    67    46   0.15000  1.0 3.0
   62    61   -67    69   0.23400  1.0 3.0
   62    61    67    70   0.15000  1.0 3.0
   62    61   -69    67   0.36800  1.0 3.0
   67    46    50    51   0.09850  1.0 1.0
   67    46    50    51   0.15250 -1.0 2.0
   67    46    50    51  -0.50650  1.0 3.0
   67    46   -50    52   0.46850  1.0 1.0
   67    46   -50    52   0.08550 -1.0 2.0
   67    46   -50    52   0.09800  1.0 3.0
   69    61   -67    46   0.02550  1.0 1.0
   69    61   -67    46  -0.02600 -1.0 2.0
   69    61   -67    46   1.20400  1.0 3.0
   69    61   -67    70   0.02550  1.0 1.0
   69    61   -67    70  -0.02600 -1.0 2.0
   69    61   -67    70   1.20400  1.0 3.0
   69    67    70    71   0.23400  1.0 3.0
   69    67    70    72   0.23400  1.0 3.0
   69    67    70    73   0.23400  1.0 3.0
   70    67   -69    61   0.06250  1.0 1.0
   70    67   -69    61  -0.01100 -1.0 2.0
   70    67   -69    61   0.28050  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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   46    52    50    51   1.10000 -1.0 2.0
   55    58    51    50   1.10000 -1.0 2.0
   68    76    74    75  10.50000 -1.0 2.0
   74    79    76    77  15.00000 -1.0 2.0
   83    78    77    76  15.00000 -1.0 2.0
END
