* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    160    249     464
    1     0 S   NP   _N1_     1    29.33124    96.41442   -17.35203
    2     1 S   H    _HN1     2     1.02768    67.53039   -78.40700
    3     1 S   H    _H1_     3     1.02965    90.84741    31.21281
    4     1 S   H    _H2_     4     1.02832    51.39167   142.31289
    5     1 S   CT   _CA1     5     1.50209   156.71503  -173.07624
    6     5 S   HC   _HA1     6     1.09569   105.14051    23.30086
    7     5 S   CO3  _C1_     7     1.53920   112.59077   -96.59208
    8     7 S   O2Z  _O11     8     1.26343   114.96111   -32.89606
    9     7 S   O2Z  _O12     9     1.26255   115.06943   146.14860
   10     5 S   CT   _CB1    10     1.53132   107.33765   141.30196
   11    10 S   HC   HB11    11     1.09814   109.45989   -48.04486
   12    10 S   HC   HB12    12     1.09795   110.25223    68.53708
   13    10 S   CT   _CG1    13     1.52926   112.72905  -169.12170
   14    13 S   HC   HG11    14     1.09543   110.31533   -62.79724
   15    13 S   HC   HG12    15     1.09644   110.06467    56.28636
   16    13 S   C    _CD1    16     1.51850   112.56973   176.59981
   17    16 S   O    _OE1    17     1.22670   123.39453    -8.14652
   18    16 S   N    _N2_    18     1.38586   111.38868   172.27031
   19    18 S   H    _HN2    19     1.01598   118.84082     1.55696
   20    18 S   CT1  _CA2    20     1.46171   123.79981  -178.03238
   21    20 S   HC   _HA2    21     1.09727   109.39408   -16.42557
   22    20 S   C    _C2_    22     1.53474   107.89169  -131.96252
   23    22 S   O    _O2_    23     1.22993   122.37835  -144.76481
   24    20 S   CT   _CB2    32     1.53491   111.26259   106.03643
   25    24 S   HC   HB21    33     1.09496   109.95186    51.76624
   26    24 S   HC   HB22    34     1.09521   110.53311   169.73590
   27    22 S   N    _N3_    24     1.38553   113.25179    42.51609
   28    27 S   H    _HN3    25     1.01536   118.89824    -0.54429
   29    24 S   S    _SG2    35     1.83057   111.96013   -72.16028
   30    27 S   CT   _CA3    26     1.45460   123.51872   175.22558
   31    30 S   HC   HA31    27     1.09518   109.32716    22.39653
   32    30 S   HC   HA32    28     1.09499   107.08892   139.41490
   33    29 S   CT   _C9_    36     1.84378   101.10259   128.40735
   34    33 S   HC   _H4_    37     1.09650   106.10930   165.66738
   35    30 S   CO3  _C3_    29     1.52926   113.09090  -101.14951
   36    35 S   O2Z  _O31    30     1.26405   115.40271   -44.21821
   37    35 S   O2Z  _O32    31     1.26354   114.98614   136.72297
   38    33 S   CT   _C10    38     1.53634   110.61085   -76.23518
   39    38 S   HC   _H5_    39     1.09628   110.73864    45.35732
   40    33 S   OS   _O35    70     1.43143   112.12882    45.27792
   41    38 S   CO4  _C16    40     1.51469   114.46305   -75.60845
   42    41 S   O    _O37    41     1.22082   126.43408    34.88368
   43    40 S   CO   _C7_    71     1.42386   114.00505    88.07401
   44    43 S   HC   _H3_    72     1.09616   111.08372    50.51705
   45    41 S   OS   _O36    42     1.36810   109.95618  -147.30280
   46    43 S   CM   _C6_    73     1.47754   108.30375   171.91432
   47    46 S   HC   _H11    74     1.08070   123.82540   -59.68165
   48    45 S   CT   _C15    43     1.42735   110.18505     3.42514
   49    48 S   HC   _H7_    44     1.09386   110.15234  -104.48053
   50    46 S   CM   _C5_    75     1.33034   111.49084   120.24039
   51    48 S   CM   _C14    45     1.49550   110.73983   128.47279
   52    50 S   CO4  _C8_    76     1.46712   106.33943     0.04423
   53    52 S   O    _O34    77     1.21871   125.51148  -179.75853
   54    50 S   CT   _C4_    79     1.47818   130.01911  -179.83568
   55    54 S   HC   _H8_    80     1.09448   110.52581   119.97343
   56    54 S   HC   _H9_    81     1.09480   111.42491    -0.02798
   57    54 S   HC   _H10    82     1.09447   110.52782  -120.00650
   58    51 S   CM   _C13    46     1.34094   110.74500   -98.88839
   59    43 S   OS   _O33    78     1.43023   113.54266   -73.69619
   60    58 S   CT   _C20    47     1.48980   125.08992   177.54920
   61    60 S   HC   _H18    48     1.09649   108.67518   109.23817
   62    60 S   HC   _H19    49     1.09586   110.29313  -133.44794
   63    58 S   CT   _C12    65     1.49367   112.23426     0.57607
   64    63 S   HC   _H12    66     1.09424   109.84503   106.08701
   65    63 S   HC   _H13    67     1.09452   111.55793  -132.99501
   66    60 S   CT   _C19    50     1.53179   111.97401   -11.94793
   67    66 S   HC   _H16    51     1.09621   109.38802   162.20596
   68    66 S   HC   _H17    52     1.09671   109.57677   -81.48498
   69    38 S   CT   _C11    68     1.52578   115.81186   166.94254
   70    69 S   HC   _H6_    69     1.09832   111.06183   -86.72376
   71    66 S   CT   _C18    53     1.53247   111.80248    40.34046
   72    71 S   HC   _H14    54     1.09908   108.03871    63.40908
   73    71 S   HC   _H15    55     1.09730   109.29307   178.54357
   74    51 S   CT   _C17    56     1.51141   125.00519    79.63119
   75    74 S   CT   _C21    57     1.53997   109.53584   -72.52707
   76    75 S   HC   _H20    58     1.09606   111.05659  -175.45942
   77    75 S   HC   _H21    59     1.09547   111.47405    65.11945
   78    75 S   HC   _H22    60     1.09559   111.94126   -55.10154
   79    74 S   CT   _C22    61     1.53934   111.31201    47.68709
   80    79 S   HC   _H23    62     1.09624   110.96284   175.01905
   81    79 S   HC   _H24    63     1.09626   111.38153    55.06738
   82    79 S   HC   _H25    64     1.09579   111.75594   -65.41569
  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   8   5   4   3
  15   6   2   1   1  15   8   9   8   3   8   5   8   9   4  13
   6   7  22   6   2   4   2   1   1  15   1  13   6   5   6   3
   2   8   5   4   2   1  11   4   3   8   7   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    69    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    48    63    69    70    40    43    44    46    59  
   38    39    41    69    40    43  
   36    37  
   37  
    0  
   39    41    42    45    48    49    51    58    63    64    65    69    70    40    43  
   41    42    45    48    63    69    70    40  
   43    44    46    47    50    52    59    41    69  
   42    45    48    49    51    63    69    70  
   45    48    69  
   44    46    47    50    52    53    59    54  
   46    47    50    52    59  
   48    49    51    58    74    63    69    70  
   47    50    52    53    59    54    55    56    57  
   50    52    59    54  
   49    51    58    60    71    74    75    79    63    64    65    69    70  
   51    58    74    63    69    70  
   52    53    59    54    55    56    57  
   58    60    61    62    66    71    72    73    74    75    76    77    78    79    80    81    82    63    64    65    69    70  
   53    59    54    55    56    57  
   59    54  
   55    56    57    59  
   56    57  
   57  
    0  
   60    61    62    66    67    68    71    74    75    79    63    64    65    69    70  
    0  
   61    62    66    67    68    71    72    73    74    63    64    65    69  
   62    66    67    68    71    63  
   66    67    68    71    63  
   64    65    69    70    66    74  
   65    69    70  
   69    70  
   67    68    71    72    73    74    75    79  
   68    71    72    73    74  
   71    72    73    74  
   70    74  
    0  
   72    73    74    75    76    77    78    79    80    81    82  
   73    74    75    79  
   74    75    79  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   0.318900   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    69   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    69   268.000  1.529
   51    58   549.000  1.340
   51    74   317.000  1.510
   58    60   317.000  1.510
   58    63   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   268.000  1.529
   74    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   40    43   320.000  1.380
   43    44   340.000  1.090
   43    46   317.000  1.510
   43    59   320.000  1.380
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    52   320.000  1.462
   50    54   317.000  1.510
   52    53   570.000  1.229
   52    59   214.000  1.327
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    69    58.35000  112.70000
   33    40    43    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    45    81.00000  111.40000
   38    69    48    58.35000  112.70000
   38    69    63    58.35000  112.70000
   38    69    70    37.50000  110.70000
   41    38    39    35.00000  109.50000
   41    45    48    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    48    49    35.00000  109.50000
   45    48    51    85.00000  110.90400
   45    48    69    50.00000  109.50000
   48    51    58    70.00000  124.00000
   48    51    74    65.00000  117.92700
   48    69    63    58.35000  112.70000
   48    69    70    37.50000  110.70000
   51    48    49    35.00000  109.50000
   51    58    60    70.00000  124.00000
   51    58    63    70.00000  124.00000
   51    74    71    70.00000  112.02700
   51    74    75    70.00000  112.02700
   51    74    79    70.00000  112.02700
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    66    70.00000  112.02700
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    69    70.00000  112.02700
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    74    75    58.35000  112.70000
   71    74    79    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    51    58    70.00000  124.00000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    75    76    37.50000  110.70000
   74    75    77    37.50000  110.70000
   74    75    78    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    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
   63    58    60    65.00000  117.92700
   63    69    70    37.50000  110.70000
   65    63    64    33.00000  107.80000
   69    38    39    37.50000  110.70000
   69    38    41    63.00000  111.10000
   69    48    49    37.50000  110.70000
   69    48    51    70.00000  112.02700
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    46    85.00000  110.90400
   40    43    59    92.60000  111.55000
   43    46    47    35.00000  117.00000
   43    46    50    70.00000  124.00000
   43    59    52    95.00000  111.08000
   46    43    44    35.00000  109.50000
   46    50    52    65.00000  118.96000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    52    53    80.00000  123.72100
   50    52    59    90.00000  111.29400
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   59    43    44    35.00000  109.50000
   59    43    46    85.00000  110.90400
   59    52    53    83.00000  123.40000
   54    50    52    65.00000  116.34900
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    69   0.44750  1.0 1.0
   29    33    38    69  -0.17800 -1.0 2.0
   29    33    38    69   0.20200  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    45   0.36750  1.0 3.0
   33    38    69    48   0.56750  1.0 1.0
   33    38    69    48  -0.07550 -1.0 2.0
   33    38    69    48   0.20000  1.0 3.0
   33    38    69    63   0.56750  1.0 1.0
   33    38    69    63  -0.07550 -1.0 2.0
   33    38    69    63   0.20000  1.0 3.0
   33    38    69    70   0.15000  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    46  -0.77900  1.0 1.0
   33    40    43    46  -0.36900 -1.0 2.0
   33    40    43    46   0.40400  1.0 3.0
   33    40    43    59  -0.53350  1.0 1.0
   33    40    43    59  -0.78350 -1.0 2.0
   33    40    43    59   0.33750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    69   0.15000  1.0 3.0
   34    33    40    43   0.37050  1.0 3.0
   38    33    40    43   0.06250  1.0 1.0
   38    33    40    43  -0.01100 -1.0 2.0
   38    33    40    43   0.28050  1.0 3.0
   38    41   -45    48   1.63150  1.0 1.0
   38    41   -45    48   2.92000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   0.00000  1.0 1.0
   39    38    69    48   0.15000  1.0 3.0
   39    38    69    63   0.15000  1.0 3.0
   39    38    69    70   0.15000  1.0 3.0
   41    38   -69    48  -0.95700  1.0 1.0
   41    38   -69    48  -0.18200 -1.0 2.0
   41    38   -69    48   0.29450  1.0 3.0
   41    38    69    63  -0.95700  1.0 1.0
   41    38    69    63  -0.18200 -1.0 2.0
   41    38    69    63   0.29450  1.0 3.0
   41    38    69    70  -0.11250  1.0 3.0
   41    45    48    49   0.08050  1.0 3.0
   41    45    48    51  -0.82050  1.0 1.0
   41    45    48    51   0.00600 -1.0 2.0
   41    45    48    51   0.04400  1.0 3.0
   41    45   -48    69  -0.25900  1.0 1.0
   41    45   -48    69  -0.47000 -1.0 2.0
   41    45   -48    69   0.11750  1.0 3.0
   42    41    45    48   3.00000 -1.0 2.0
   45    48    51    58   0.39000  1.0 1.0
   45    48    51    58  -0.05800 -1.0 2.0
   45    48    51    58  -0.55150  1.0 3.0
   45    48    51    74   0.09700  1.0 1.0
   45    48    51    74   0.15600 -1.0 2.0
   45    48    51    74  -0.50800  1.0 3.0
   45    48   -69    38   0.62750  1.0 1.0
   45    48   -69    38  -0.30950 -1.0 2.0
   45    48   -69    38   0.27300  1.0 3.0
   45    48    69    63   0.62750  1.0 1.0
   45    48    69    63  -0.30950 -1.0 2.0
   45    48    69    63   0.27300  1.0 3.0
   45    48    69    70   0.23400  1.0 3.0
   48    51    58    60   7.00000 -1.0 2.0
   48    51   -58    63   7.00000 -1.0 2.0
   48    51    74    71   0.46850  1.0 1.0
   48    51    74    71   0.08550 -1.0 2.0
   48    51    74    71   0.09800  1.0 3.0
   48    51    74    75   0.46850  1.0 1.0
   48    51    74    75   0.08550 -1.0 2.0
   48    51    74    75   0.09800  1.0 3.0
   48    51    74    79   0.46850  1.0 1.0
   48    51    74    79   0.08550 -1.0 2.0
   48    51    74    79   0.09800  1.0 3.0
   49    48    51    58   0.00000  1.0 1.0
   49    48    51    74   0.34800  1.0 3.0
   49    48    69    38   0.15000  1.0 3.0
   49    48    69    63   0.15000  1.0 3.0
   49    48    69    70   0.15000  1.0 3.0
   51    48    69    38   0.34400  1.0 1.0
   51    48    69    38   0.09450 -1.0 2.0
   51    48    69    38   0.11100  1.0 3.0
   51    48   -69    63   0.34400  1.0 1.0
   51    48   -69    63   0.09450 -1.0 2.0
   51    48   -69    63   0.11100  1.0 3.0
   51    48    69    70   0.15000  1.0 3.0
   51    58    60    61   0.00000  1.0 1.0
   51    58    60    62   0.00000  1.0 1.0
   51    58    60    66   0.09850  1.0 1.0
   51    58    60    66   0.15250 -1.0 2.0
   51    58    60    66  -0.50650  1.0 3.0
   51    58    63    64   0.00000  1.0 1.0
   51    58    63    65   0.00000  1.0 1.0
   51    58   -63    69   0.09850  1.0 1.0
   51    58   -63    69   0.15250 -1.0 2.0
   51    58   -63    69  -0.50650  1.0 3.0
   51    74    75    76   0.15000  1.0 3.0
   51    74    75    77   0.15000  1.0 3.0
   51    74    75    78   0.15000  1.0 3.0
   51    74    79    80   0.15000  1.0 3.0
   51    74    79    81   0.15000  1.0 3.0
   51    74    79    82   0.15000  1.0 3.0
   58    51    74    71   0.09850  1.0 1.0
   58    51    74    71   0.15250 -1.0 2.0
   58    51    74    71  -0.50650  1.0 3.0
   58    51    74    75   0.09850  1.0 1.0
   58    51    74    75   0.15250 -1.0 2.0
   58    51    74    75  -0.50650  1.0 3.0
   58    51    74    79   0.09850  1.0 1.0
   58    51    74    79   0.15250 -1.0 2.0
   58    51    74    79  -0.50650  1.0 3.0
   58    60    66    67   0.15000  1.0 3.0
   58    60    66    68   0.15000  1.0 3.0
   58    60   -66    71   0.34400  1.0 1.0
   58    60   -66    71   0.09450 -1.0 2.0
   58    60   -66    71   0.11100  1.0 3.0
   58    63    69    38   0.34400  1.0 1.0
   58    63    69    38   0.09450 -1.0 2.0
   58    63    69    38   0.11100  1.0 3.0
   58    63   -69    48   0.34400  1.0 1.0
   58    63   -69    48   0.09450 -1.0 2.0
   58    63   -69    48   0.11100  1.0 3.0
   58    63    69    70   0.15000  1.0 3.0
   60    58    63    64   0.34800  1.0 3.0
   60    58    63    65   0.34800  1.0 3.0
   60    58    63    69   0.46850  1.0 1.0
   60    58    63    69   0.08550 -1.0 2.0
   60    58    63    69   0.09800  1.0 3.0
   60    66    71    72   0.15000  1.0 3.0
   60    66    71    73   0.15000  1.0 3.0
   60    66    71    74   0.56750  1.0 1.0
   60    66    71    74  -0.07550 -1.0 2.0
   60    66    71    74   0.20000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    71   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    71   0.15000  1.0 3.0
   66    71   -74    51   0.34400  1.0 1.0
   66    71   -74    51   0.09450 -1.0 2.0
   66    71   -74    51   0.11100  1.0 3.0
   66    71    74    75   0.56750  1.0 1.0
   66    71    74    75  -0.07550 -1.0 2.0
   66    71    74    75   0.20000  1.0 3.0
   66    71    74    79   0.56750  1.0 1.0
   66    71    74    79  -0.07550 -1.0 2.0
   66    71    74    79   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    74   0.15000  1.0 3.0
   71    74    75    76   0.15000  1.0 3.0
   71    74    75    77   0.15000  1.0 3.0
   71    74    75    78   0.15000  1.0 3.0
   71    74    79    80   0.15000  1.0 3.0
   71    74    79    81   0.15000  1.0 3.0
   71    74    79    82   0.15000  1.0 3.0
   72    71    74    51   0.15000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    79   0.15000  1.0 3.0
   73    71    74    51   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    79   0.15000  1.0 3.0
   74    51   -58    60   7.00000 -1.0 2.0
   74    51    58    63   7.00000 -1.0 2.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.15000  1.0 3.0
   79    74    75    76   0.15000  1.0 3.0
   79    74    75    77   0.15000  1.0 3.0
   79    74    75    78   0.15000  1.0 3.0
   63    58    60    61   0.34800  1.0 3.0
   63    58    60    62   0.34800  1.0 3.0
   63    58    60    66   0.46850  1.0 1.0
   63    58    60    66   0.08550 -1.0 2.0
   63    58    60    66   0.09800  1.0 3.0
   64    63    69    38   0.15000  1.0 3.0
   64    63    69    48   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   65    63    69    38   0.15000  1.0 3.0
   65    63    69    48   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   69    38    41    42   0.30150 -1.0 2.0
   69    38   -41    45   0.36750  1.0 3.0
   69    48   -51    58   0.09850  1.0 1.0
   69    48   -51    58   0.15250 -1.0 2.0
   69    48   -51    58  -0.50650  1.0 3.0
   69    48    51    74   0.46850  1.0 1.0
   69    48    51    74   0.08550 -1.0 2.0
   69    48    51    74   0.09800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33    38    69   0.62750  1.0 1.0
   40    33    38    69  -0.30950 -1.0 2.0
   40    33    38    69   0.27300  1.0 3.0
   40    43    46    47   0.00000  1.0 1.0
   40    43    46    50   0.39000  1.0 1.0
   40    43    46    50  -0.05800 -1.0 2.0
   40    43    46    50  -0.55150  1.0 3.0
   40    43    59    52  -1.83450  1.0 1.0
   40    43    59    52  -0.02700 -1.0 2.0
   40    43    59    52  -0.20100  1.0 3.0
   43    46   -50    52   7.00000 -1.0 2.0
   43    46    50    54   7.00000 -1.0 2.0
   44    43    46    47   0.33100  1.0 3.0
   44    43    46    50   0.00000  1.0 1.0
   44    43    59    52   0.08050  1.0 3.0
   46    43   -59    52  -0.82050  1.0 1.0
   46    43   -59    52   0.00600 -1.0 2.0
   46    43   -59    52   0.04400  1.0 3.0
   46    50    52    53   1.00000 -1.0 2.0
   46    50   -52    59  -0.56150  1.0 1.0
   46    50   -52    59   2.19150 -1.0 2.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    57   0.00000  1.0 1.0
   47    46    50    52   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    52   -59    43   2.00000 -1.0 2.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   53    52    59    43   3.00000 -1.0 2.0
   59    43    46    47   0.00000  1.0 1.0
   59    43   -46    50   0.39000  1.0 1.0
   59    43   -46    50  -0.05800 -1.0 2.0
   59    43   -46    50  -0.55150  1.0 3.0
   54    50    52    53  -0.64400  1.0 1.0
   54    50    52    53   0.26850 -1.0 2.0
   54    50    52    59  -0.15000  1.0 1.0
   54    50    52    59   0.89550 -1.0 2.0
   54    50    52    59  -0.06900  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
   38    45    41    42  10.50000 -1.0 2.0
   48    74    51    58   1.10000 -1.0 2.0
   60    63    58    51   1.10000 -1.0 2.0
   43    47    46    50   1.10000 -1.0 2.0
   52    54    50    46   1.10000 -1.0 2.0
   50    59    52    53  10.50000 -1.0 2.0
END
