* LIGAND DATABASE FILE (OPLS2005)
*
001      82    86    161    265     477
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02064   104.57116   -33.99281
    3     1 S   H    _H1_     3     1.02039    68.18539    70.64653
    4     1 S   H    _H2_     4     1.02130    44.74876  -135.96963
    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     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   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   _C15    36     1.87357    96.44527   161.85429
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C14    37     1.56114   107.91346   -79.97653
   38    37 S   HC   _H5_    38     1.09031   108.57987   -39.07997
   39    33 S   CT   _C10    52     1.59506   112.76893   152.43967
   40    33 S   NE   _N5_    63     1.47614   105.59512    38.90431
   41    40 S   H    _H18    64     1.01118   122.48596   -51.44113
   42    37 S   CT   _C13    39     1.55666   116.25866  -161.15306
   43    42 S   HC   _H4_    40     1.09803   110.80889  -130.53509
   44    39 S   CA   _C17    53     1.51899   100.27194   -90.25017
   45    67 S   CT   _C11    65     1.48135   115.03200    36.58665
   46    45 S   HC   _H3_    66     1.09960   105.99456  -161.13542
   47    37 S   CO4  _C22    76     1.50913   111.59074    74.32927
   48    47 S   O    _O33    77     1.22336   124.02769  -116.54587
   49    42 S   CM   _C6_    41     1.51952   111.08788   108.01961
   50    44 S   CA   _C18    54     1.38757   129.74159   167.30249
   51    50 S   HA   _H19    55     1.08491   121.36468    -2.86184
   52    42 S   CT   _C12    67     1.52083   112.60980    -9.81460
   53    52 S   HC   _H16    68     1.09920   110.37164   178.50983
   54    52 S   HC   _H17    69     1.09473   110.80845   -64.65987
   55    47 S   OS   _O34    78     1.36299   109.51800    63.49685
   56    49 S   CT   _C7_    42     1.50940   114.99685   -63.87666
   57    56 S   HC   _H10    43     1.09615   106.96605    79.04533
   58    56 S   HC   _H11    44     1.09684   110.23350  -166.61265
   59    50 S   CA   _C19    56     1.39629   118.46575   175.94566
   60    59 S   HA   _H20    57     1.08648   119.80333  -179.87646
   61    49 S   CM   _C5_    70     1.34117   122.58693   117.04205
   62    61 S   HC   _H9_    71     1.08406   118.68364   178.98760
   63    55 S   CT   _C23    79     1.43194   115.41334   179.95577
   64    63 S   HC   _H23    80     1.09310   109.44610   180.00000
   65    63 S   HC   _H24    81     1.09262   109.49943    59.24817
   66    63 S   HC   _H25    82     1.09188   108.99855   -60.40600
   67    56 S   NT   _N4_    45     1.47767   114.42828   -45.57346
   68    59 S   CA   _C20    58     1.40262   120.51635    -0.74046
   69    68 S   HA   _H21    59     1.08610   119.62041  -179.20156
   70    61 S   CT   _C4_    72     1.48973   123.86638    -1.02660
   71    70 S   HC   _H6_    73     1.09372   109.92170   -90.01281
   72    70 S   HC   _H7_    74     1.09483   112.38558   149.52340
   73    70 S   HC   _H8_    75     1.09482   109.87664    29.09245
   74    67 S   CT   _C8_    46     1.47282   110.48182   152.54783
   75    74 S   HC   _H12    47     1.09794   109.17782   161.47513
   76    74 S   HC   _H13    48     1.09569   113.22112    42.35086
   77    68 S   CA   _C21    60     1.39663   120.60284     0.47105
   78    77 S   HA   _H22    61     1.08505   120.30074  -179.58504
   79    74 S   CT   _C9_    49     1.52887   104.65370   -80.67497
   80    79 S   HC   _H14    50     1.09478   107.75739    89.32995
   81    79 S   HC   _H15    51     1.09489   111.09061  -153.57827
   82    44 S   CA   _C16    62     1.39717   109.25479   -15.89860
  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  12   5   4   3
  23   2   1   1  20   9  23  11   3  17   8  16  17   7   8   2
  14   8   4   7   2   1   4  10   4   3   6   3   6   4   3   2
   1   1   6   4   3   3   2   1   1   5   4   3   2   1   3   1
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    79    39    44    82    40    41    45    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    49    67    74    79    80    81    39    44    50    77    82    40    41    45    46    52    47    48    55  
   35    36  
   36  
    0  
   38    42    43    49    56    79    39    44    82    40    41    45    52    53    54    61    47    48    55    63  
   42    43    49    39    40    52    47    48    55  
   44    50    51    59    77    82    40    41    45    46    52    53    54    47    42    56    67    74    75    76    79    80    81  
   41    45    47    42    44    50    68    77    78    79    82  
   44    77    82  
   43    49    56    57    58    67    45    46    52    53    54    61    62    70    47    48    55  
   49    56    45    52    53    54    61    47  
   50    51    59    60    68    77    78    82    45    46    52    67    74    79    80    81  
   46    52    53    54    49    50    56    57    58    67    74    75    76    79    80    81    82  
   52    53    54    56    67    74    79  
   48    55    63    64    65    66    49    52  
   55    63  
   56    57    58    67    74    52    53    54    61    62    70    71    72    73  
   51    59    60    68    69    77    82    79  
   59    60    68    82  
   53    54    61    56    67    74    79  
   54    67  
   67  
   63    64    65    66  
   57    58    67    74    75    76    79    61    62    70  
   58    67    74    61  
   67    74    61  
   60    68    69    77    78    82  
   68    69    77  
   62    70    71    72    73    67  
   70    71    72    73  
   64    65    66  
   65    66  
   66  
    0  
   74    75    76    79    80    81  
   69    77    78    82  
   77    78    82  
   71    72    73  
   72    73  
   73  
    0  
   75    76    79    80    81  
   76    79    80    81  
   79    80    81  
   78    82  
   82  
   80    81    82  
   81  
    0  
    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   0.367500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   41   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    39   268.000  1.529
   33    40   382.000  1.448
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    47   317.000  1.522
   42    43   340.000  1.090
   42    49   317.000  1.510
   42    52   268.000  1.529
   49    56   317.000  1.510
   49    61   549.000  1.340
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    67   382.000  1.448
   67    74   382.000  1.448
   67    45   382.000  1.448
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    39   268.000  1.529
   39    44   317.000  1.510
   39    45   268.000  1.529
   44    50   469.000  1.400
   44    82   469.000  1.400
   50    51   367.000  1.080
   50    59   469.000  1.400
   59    60   367.000  1.080
   59    68   469.000  1.400
   68    69   367.000  1.080
   68    77   469.000  1.400
   77    78   367.000  1.080
   77    82   469.000  1.400
   82    40   481.000  1.340
   40    41   434.000  1.010
   45    46   340.000  1.090
   45    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   61    62   340.000  1.080
   61    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   47    48   570.000  1.229
   47    55   214.000  1.327
   55    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    40    80.00000  108.62000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    47    63.00000  111.10000
   33    39    79    58.35000  112.70000
   33    39    44    70.00000  112.17500
   33    39    45    58.35000  112.70000
   33    40    82    50.00000  120.00000
   33    40    41    35.00000  112.50000
   37    42    43    37.50000  110.70000
   37    42    49    70.00000  112.02700
   37    42    52    58.35000  112.70000
   37    47    48    80.00000  120.40000
   37    47    55    81.00000  111.40000
   42    37    38    37.50000  110.70000
   42    49    56    65.00000  117.92700
   42    49    61    70.00000  124.00000
   42    52    45    58.35000  112.70000
   42    52    53    37.50000  110.70000
   42    52    54    37.50000  110.70000
   49    42    43    35.00000  109.50000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    67    75.00000  110.70900
   49    61    62    35.00000  120.00000
   49    61    70    70.00000  124.00000
   56    67    74    51.80000  107.20000
   56    67    45    51.80000  107.20000
   58    56    57    33.00000  107.80000
   67    56    57    35.00000  109.50000
   67    56    58    35.00000  109.50000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    79    56.20000  109.47000
   67    45    39    56.20000  109.47000
   67    45    46    35.00000  109.50000
   67    45    52    56.20000  109.47000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    39    58.35000  112.70000
   76    74    75    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   79    39    44    70.00000  112.17500
   79    39    45    58.35000  112.70000
   81    79    80    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    79    80    37.50000  110.70000
   39    79    81    37.50000  110.70000
   39    44    50    70.00000  120.00000
   39    44    82    70.00000  120.00000
   39    45    46    37.50000  110.70000
   39    45    52    58.35000  112.70000
   44    50    51    35.00000  120.00000
   44    50    59    63.00000  120.00000
   44    82    77    63.00000  120.00000
   44    82    40    70.00000  120.10000
   50    59    60    35.00000  120.00000
   50    59    68    63.00000  120.00000
   59    50    51    35.00000  120.00000
   59    68    69    35.00000  120.00000
   59    68    77    63.00000  120.00000
   68    59    60    35.00000  120.00000
   68    77    78    35.00000  120.00000
   68    77    82    63.00000  120.00000
   77    68    69    35.00000  120.00000
   77    82    40    70.00000  120.10000
   82    44    50    63.00000  120.00000
   82    77    78    35.00000  120.00000
   82    40    41    35.00000  113.50000
   40    33    37    80.00000  111.61500
   40    33    39    80.00000  111.61500
   45    67    74    51.80000  107.20000
   45    39    44    70.00000  112.17500
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   52    42    43    37.50000  110.70000
   52    42    49    70.00000  112.02700
   52    45    46    37.50000  110.70000
   54    52    53    33.00000  107.80000
   61    49    56    70.00000  124.00000
   61    70    71    35.00000  109.50000
   61    70    72    35.00000  109.50000
   61    70    73    35.00000  109.50000
   70    61    62    35.00000  117.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   47    37    38    35.00000  109.50000
   47    37    42    63.00000  111.10000
   47    55    63    83.00000  116.90000
   55    47    48    83.00000  123.40000
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    39    79   0.44750  1.0 1.0
   29    33    39    79  -0.17800 -1.0 2.0
   29    33    39    79   0.20200  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    39    45   0.44750  1.0 1.0
   29    33    39    45  -0.17800 -1.0 2.0
   29    33    39    45   0.20200  1.0 3.0
   29    33    40    82  -0.12500  1.0 1.0
   29    33    40    82  -0.12500 -1.0 2.0
   29    33    40    82   0.25000  1.0 3.0
   29    33    40    41  -0.12500  1.0 1.0
   29    33    40    41  -0.12500 -1.0 2.0
   29    33    40    41   0.25000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    49   0.34400  1.0 1.0
   33    37    42    49   0.09450 -1.0 2.0
   33    37    42    49   0.11100  1.0 3.0
   33    37    42    52   0.56750  1.0 1.0
   33    37    42    52  -0.07550 -1.0 2.0
   33    37    42    52   0.20000  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    55   0.36750  1.0 3.0
   33    39    44    50   0.04150 -1.0 2.0
   33    39   -44    82   0.04150 -1.0 2.0
   33    39    45    67   1.53400  1.0 1.0
   33    39    45    67  -0.09950 -1.0 2.0
   33    39    45    67   0.05700  1.0 3.0
   33    39    45    46   0.15000  1.0 3.0
   33    39   -45    52   0.56750  1.0 1.0
   33    39   -45    52  -0.07550 -1.0 2.0
   33    39   -45    52   0.20000  1.0 3.0
   37    33    39    79   0.56750  1.0 1.0
   37    33    39    79  -0.07550 -1.0 2.0
   37    33    39    79   0.20000  1.0 3.0
   37    33    39    44  -0.03700  1.0 1.0
   37    33    39    44   0.37200 -1.0 2.0
   37    33    39    44  -0.47300  1.0 3.0
   37    33    39    45   0.56750  1.0 1.0
   37    33    39    45  -0.07550 -1.0 2.0
   37    33    39    45   0.20000  1.0 3.0
   37    33    40    82  -0.12500  1.0 1.0
   37    33    40    82  -0.12500 -1.0 2.0
   37    33    40    82   0.25000  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    42    49    56   0.46850  1.0 1.0
   37    42    49    56   0.08550 -1.0 2.0
   37    42    49    56   0.09800  1.0 3.0
   37    42    49    61   0.09850  1.0 1.0
   37    42    49    61   0.15250 -1.0 2.0
   37    42    49    61  -0.50650  1.0 3.0
   37    42   -52    45   0.56750  1.0 1.0
   37    42   -52    45  -0.07550 -1.0 2.0
   37    42   -52    45   0.20000  1.0 3.0
   37    42    52    53   0.15000  1.0 3.0
   37    42    52    54   0.15000  1.0 3.0
   37    47    55    63   1.63150  1.0 1.0
   37    47    55    63   2.92000 -1.0 2.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    49   0.15000  1.0 3.0
   38    37    42    52   0.15000  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    55   0.00000  1.0 1.0
   42    37    47    48   0.30150 -1.0 2.0
   42    37    47    55   0.36750  1.0 3.0
   42    49    56    57   0.34800  1.0 3.0
   42    49    56    58   0.34800  1.0 3.0
   42    49    56    67   0.52100  1.0 1.0
   42    49    56    67  -0.20350 -1.0 2.0
   42    49    56    67   0.29750  1.0 3.0
   42    49    61    62   7.00000 -1.0 2.0
   42    49    61    70   7.00000 -1.0 2.0
   43    42    49    56   0.34800  1.0 3.0
   43    42    49    61   0.00000  1.0 1.0
   43    42    52    45   0.15000  1.0 3.0
   43    42    52    53   0.15000  1.0 3.0
   43    42    52    54   0.15000  1.0 3.0
   49    42    52    45   0.34400  1.0 1.0
   49    42    52    45   0.09450 -1.0 2.0
   49    42    52    45   0.11100  1.0 3.0
   49    42    52    53   0.15000  1.0 3.0
   49    42    52    54   0.15000  1.0 3.0
   49    56    67    74  -0.60800  1.0 1.0
   49    56    67    74   1.10050 -1.0 2.0
   49    56    67    74   0.47000  1.0 3.0
   49    56   -67    45  -0.60800  1.0 1.0
   49    56   -67    45   1.10050 -1.0 2.0
   49    56   -67    45   0.47000  1.0 3.0
   49    61    70    71   0.00000  1.0 1.0
   49    61    70    72   0.00000  1.0 1.0
   49    61    70    73   0.00000  1.0 1.0
   56    49    61    62   7.00000 -1.0 2.0
   56    49    61    70   7.00000 -1.0 2.0
   56    67    74    75   0.28000  1.0 3.0
   56    67    74    76   0.28000  1.0 3.0
   56    67    74    79   0.23450  1.0 1.0
   56    67    74    79   0.02050 -1.0 2.0
   56    67    74    79   0.25250  1.0 3.0
   56    67    45    39   0.23450  1.0 1.0
   56    67    45    39   0.02050 -1.0 2.0
   56    67    45    39   0.25250  1.0 3.0
   56    67    45    46   0.28000  1.0 3.0
   56    67    45    52   0.23450  1.0 1.0
   56    67    45    52   0.02050 -1.0 2.0
   56    67    45    52   0.25250  1.0 3.0
   57    56    67    74   0.28000  1.0 3.0
   57    56    67    45   0.28000  1.0 3.0
   58    56    67    74   0.28000  1.0 3.0
   58    56    67    45   0.28000  1.0 3.0
   67    74    79    80   0.15000  1.0 3.0
   67    74    79    81   0.15000  1.0 3.0
   67    74   -79    39   1.53400  1.0 1.0
   67    74   -79    39  -0.09950 -1.0 2.0
   67    74   -79    39   0.05700  1.0 3.0
   67    45   -52    42   1.53400  1.0 1.0
   67    45   -52    42  -0.09950 -1.0 2.0
   67    45   -52    42   0.05700  1.0 3.0
   67    45    52    53   0.15000  1.0 3.0
   67    45    52    54   0.15000  1.0 3.0
   74    67   -45    39   0.23450  1.0 1.0
   74    67   -45    39   0.02050 -1.0 2.0
   74    67   -45    39   0.25250  1.0 3.0
   74    67    45    46   0.28000  1.0 3.0
   74    67    45    52   0.23450  1.0 1.0
   74    67    45    52   0.02050 -1.0 2.0
   74    67    45    52   0.25250  1.0 3.0
   74    79    39    33   0.56750  1.0 1.0
   74    79    39    33  -0.07550 -1.0 2.0
   74    79    39    33   0.20000  1.0 3.0
   74    79    39    44  -0.03700  1.0 1.0
   74    79    39    44   0.37200 -1.0 2.0
   74    79    39    44  -0.47300  1.0 3.0
   74    79   -39    45   0.56750  1.0 1.0
   74    79   -39    45  -0.07550 -1.0 2.0
   74    79   -39    45   0.20000  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    39   0.15000  1.0 3.0
   76    74    79    80   0.15000  1.0 3.0
   76    74    79    81   0.15000  1.0 3.0
   76    74    79    39   0.15000  1.0 3.0
   79    39    44    50   0.04150 -1.0 2.0
   79    39    44    82   0.04150 -1.0 2.0
   79    39   -45    67   1.53400  1.0 1.0
   79    39   -45    67  -0.09950 -1.0 2.0
   79    39   -45    67   0.05700  1.0 3.0
   79    39    45    46   0.15000  1.0 3.0
   79    39    45    52   0.56750  1.0 1.0
   79    39    45    52  -0.07550 -1.0 2.0
   79    39    45    52   0.20000  1.0 3.0
   80    79    39    33   0.15000  1.0 3.0
   80    79    39    44   0.43200  1.0 3.0
   80    79    39    45   0.15000  1.0 3.0
   81    79    39    33   0.15000  1.0 3.0
   81    79    39    44   0.43200  1.0 3.0
   81    79    39    45   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    47  -0.95700  1.0 1.0
   39    33    37    47  -0.18200 -1.0 2.0
   39    33    37    47   0.29450  1.0 3.0
   39    33   -40    82  -0.12500  1.0 1.0
   39    33   -40    82  -0.12500 -1.0 2.0
   39    33   -40    82   0.25000  1.0 3.0
   39    33    40    41   0.00000  1.0 1.0
   39    44    50    51   3.62500 -1.0 2.0
   39    44    50    59   3.62500 -1.0 2.0
   39    44    82    77   3.62500 -1.0 2.0
   39    44   -82    40   3.62500 -1.0 2.0
   39    45   -52    42   0.56750  1.0 1.0
   39    45   -52    42  -0.07550 -1.0 2.0
   39    45   -52    42   0.20000  1.0 3.0
   39    45    52    53   0.15000  1.0 3.0
   39    45    52    54   0.15000  1.0 3.0
   44    39    45    67   0.83750  1.0 1.0
   44    39    45    67   0.32200 -1.0 2.0
   44    39    45    67   0.70600  1.0 3.0
   44    39    45    46   0.43200  1.0 3.0
   44    39    45    52  -0.03700  1.0 1.0
   44    39    45    52   0.37200 -1.0 2.0
   44    39    45    52  -0.47300  1.0 3.0
   44    50    59    60   3.62500 -1.0 2.0
   44    50    59    68   3.62500 -1.0 2.0
   44    82   -40    33  -1.00000  1.0 1.0
   44    82   -40    33   1.25000 -1.0 2.0
   44    82    40    41   1.00000 -1.0 2.0
   50    44    82    77   3.62500 -1.0 2.0
   50    44    82    40   3.62500 -1.0 2.0
   50    59    68    69   3.62500 -1.0 2.0
   50    59   -68    77   3.62500 -1.0 2.0
   51    50    59    60   3.62500 -1.0 2.0
   51    50    59    68   3.62500 -1.0 2.0
   59    68    77    78   3.62500 -1.0 2.0
   59    68    77    82   3.62500 -1.0 2.0
   60    59    68    69   3.62500 -1.0 2.0
   60    59    68    77   3.62500 -1.0 2.0
   68    77   -82    44   3.62500 -1.0 2.0
   68    77    82    40   3.62500 -1.0 2.0
   69    68    77    78   3.62500 -1.0 2.0
   69    68    77    82   3.62500 -1.0 2.0
   77    82    40    33  -1.00000  1.0 1.0
   77    82    40    33   1.25000 -1.0 2.0
   77    82    40    41   1.00000 -1.0 2.0
   78    77    82    44   3.62500 -1.0 2.0
   78    77    82    40   3.62500 -1.0 2.0
   82    44    50    51   3.62500 -1.0 2.0
   82    44   -50    59   3.62500 -1.0 2.0
   40    33    37    38   0.22950  1.0 3.0
   40    33    37    42   1.26750  1.0 1.0
   40    33    37    42  -0.00950 -1.0 2.0
   40    33    37    42   0.30600  1.0 3.0
   40    33    37    47  -2.10200  1.0 1.0
   40    33    37    47  -0.31600 -1.0 2.0
   40    33    37    47   0.13050  1.0 3.0
   40    33    39    79   1.26750  1.0 1.0
   40    33    39    79  -0.00950 -1.0 2.0
   40    33    39    79   0.30600  1.0 3.0
   40    33   -39    44   0.08550  1.0 1.0
   40    33   -39    44   1.07500 -1.0 2.0
   40    33   -39    44  -0.10950  1.0 3.0
   40    33    39    45   1.26750  1.0 1.0
   40    33    39    45  -0.00950 -1.0 2.0
   40    33    39    45   0.30600  1.0 3.0
   45    67    74    75   0.28000  1.0 3.0
   45    67    74    76   0.28000  1.0 3.0
   45    67   -74    79   0.23450  1.0 1.0
   45    67   -74    79   0.02050 -1.0 2.0
   45    67   -74    79   0.25250  1.0 3.0
   45    39    44    50   0.04150 -1.0 2.0
   45    39    44    82   0.04150 -1.0 2.0
   46    45    52    42   0.15000  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   52    42   -49    56   0.46850  1.0 1.0
   52    42   -49    56   0.08550 -1.0 2.0
   52    42   -49    56   0.09800  1.0 3.0
   52    42    49    61   0.09850  1.0 1.0
   52    42    49    61   0.15250 -1.0 2.0
   52    42    49    61  -0.50650  1.0 3.0
   61    49    56    57   0.00000  1.0 1.0
   61    49    56    58   0.00000  1.0 1.0
   61    49    56    67   0.90200  1.0 1.0
   61    49    56    67   0.57900 -1.0 2.0
   61    49    56    67  -0.62100  1.0 3.0
   62    61    70    71   0.33100  1.0 3.0
   62    61    70    72   0.33100  1.0 3.0
   62    61    70    73   0.33100  1.0 3.0
   47    37    42    43  -0.11250  1.0 3.0
   47    37    42    49  -0.98800  1.0 1.0
   47    37    42    49   0.48800 -1.0 2.0
   47    37    42    49   0.76800  1.0 3.0
   47    37    42    52  -0.95700  1.0 1.0
   47    37    42    52  -0.18200 -1.0 2.0
   47    37    42    52   0.29450  1.0 3.0
   47    55    63    64   0.08050  1.0 3.0
   47    55    63    65   0.08050  1.0 3.0
   47    55    63    66   0.08050  1.0 3.0
   48    47    55    63   3.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   42    56    49    61   1.10000 -1.0 2.0
   50    82    44    39   4.00000 -1.0 2.0
   59    51    50    44   1.10000 -1.0 2.0
   68    60    59    50   1.10000 -1.0 2.0
   77    69    68    59   1.10000 -1.0 2.0
   82    78    77    68   1.10000 -1.0 2.0
   77    40    82    44   4.00000 -1.0 2.0
   41    82    40    33   1.00000 -1.0 2.0
   70    62    61    49   1.10000 -1.0 2.0
   37    55    47    48  10.50000 -1.0 2.0
END
