* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    153    215     442
    1     0 S   NP   _N1_     1    29.58002    99.64439   -19.28650
    2     1 S   H    _HN1     2     1.02947    53.22502     4.09491
    3     1 S   H    _H1_     3     1.02828    63.26298   145.79102
    4     1 S   H    _H2_     4     1.02785    93.88868  -106.06738
    5     1 S   CT   _CA1     5     1.50092   153.34789    62.78360
    6     5 S   HC   _HA1     6     1.09561   105.21297   130.54747
    7     5 S   CO3  _C1_     7     1.53843   112.70955    10.22743
    8     7 S   O2Z  _O11     8     1.26371   114.91226   -35.84425
    9     7 S   O2Z  _O12     9     1.26243   115.04908   143.56627
   10     5 S   CT   _CB1    10     1.53108   107.46498  -111.16922
   11    10 S   HC   HB11    11     1.09825   109.66696   -47.70731
   12    10 S   HC   HB12    12     1.09813   110.32446    69.06629
   13    10 S   CT   _CG1    13     1.52896   112.39342  -168.57375
   14    13 S   HC   HG11    14     1.09529   110.53463   -64.77090
   15    13 S   HC   HG12    15     1.09658   109.74136    54.41078
   16    13 S   C    _CD1    16     1.51692   112.40279   175.59033
   17    16 S   O    _OE1    17     1.22712   123.26901    14.07282
   18    16 S   N    _N2_    18     1.38623   111.59959  -167.00006
   19    18 S   H    _HN2    19     1.01557   118.97177     4.17992
   20    18 S   CT1  _CA2    20     1.46249   123.58710  -179.04530
   21    20 S   HC   _HA2    21     1.09727   109.28538     6.63944
   22    20 S   C    _C2_    22     1.53545   109.27105  -109.22536
   23    22 S   O    _O2_    23     1.23069   122.11679  -151.32975
   24    20 S   CT   _CB2    32     1.53365   110.89881   128.36823
   25    24 S   HC   HB21    33     1.09579   109.58541    57.73244
   26    24 S   HC   HB22    34     1.09497   110.89248   176.43004
   27    22 S   N    _N3_    24     1.38272   113.93130    36.13481
   28    27 S   H    _HN3    25     1.01556   119.59830    -3.29842
   29    24 S   S    _SG2    35     1.82990   111.13533   -63.99724
   30    27 S   CT   _CA3    26     1.45293   123.27913   177.15779
   31    30 S   HC   HA31    27     1.09548   107.48913   -65.08822
   32    30 S   HC   HA32    28     1.09554   108.02348    51.37482
   33    29 S   CT   _C13    36     1.84391    99.80545   142.38824
   34    33 S   HC   _H8_    37     1.09715   106.27084   -49.54784
   35    30 S   CO3  _C3_    29     1.52978   114.03237   173.35397
   36    35 S   O2Z  _O31    30     1.26386   116.05278    -1.69535
   37    35 S   O2Z  _O32    31     1.26421   114.42851   178.39246
   38    33 S   CT   _C12    38     1.53855   111.16624    69.74009
   39    38 S   HC   _H7_    39     1.09522   111.29112   -60.85754
   40    38 S   CT   _C11    40     1.53806   109.77724   178.34767
   41    40 S   HC   _H6_    41     1.09765   108.46371    63.26783
   42    38 S   OH   _O40    84     1.42997   110.37465    57.32492
   43    42 S   HO   _H18    85     0.97261   107.07346   -56.44934
   44    40 S   CT   _C10    42     1.53608   112.66096   -56.27272
   45    44 S   HC   _H5_    43     1.09420   109.99392   179.39899
   46    40 S   OS   _O41    79     1.42679   109.57038  -177.60633
   47    44 S   CT   _C9_    44     1.53459   109.93011    56.81849
   48    47 S   HC   _H4_    45     1.09719   109.41044    64.41598
   49    44 S   OH   _O45    77     1.43013   110.60336   -64.07076
   50    49 S   HO   _H19    78     0.97384   106.58749   -44.89086
   51    46 S   P3   _P2_    80     1.64959   118.76806  -104.03970
   52    51 S   O2Z  _O43    81     1.52468   103.60454   176.87739
   53    51 S   O2Z  _O44    82     1.52541   104.58744    56.97438
   54    51 S   O2Z  _O42    83     1.52510   104.33029   -63.36767
   55    33 S   CT   _C14    46     1.54459   109.97278  -166.00167
   56    55 S   HC   _H9_    47     1.09680   111.32110   -56.93439
   57    47 S   OS   _O38    50     1.42904   110.42006  -176.38632
   58    55 S   OH   _O39    48     1.43159   109.56814    60.41546
   59    58 S   HO   _H17    49     0.97243   108.24388    68.54216
   60    57 S   P2   _P1_    51     1.63500   120.45247   -91.41612
   61    60 S   O2Z  _O37    52     1.51208   109.36118    50.28570
   62    60 S   O2Z  _O36    53     1.51346   108.21819  -176.89688
   63    60 S   OS   _O35    54     1.63431   100.26674   -62.92611
   64    63 S   CT   _C8_    55     1.42407   119.25611   -72.07488
   65    64 S   HC   _H15    56     1.09459   108.31420   -72.10978
   66    64 S   HC   _H16    57     1.09372   108.93257    46.45245
   67    64 S   CT   _C7_    58     1.52938   108.29712   167.89356
   68    67 S   HC   _H3_    59     1.09724   108.94126    51.06299
   69    67 S   CT   _C6_    60     1.53051   111.77668   173.17168
   70    69 S   HC   _H13    61     1.09622   109.75913   -63.27588
   71    69 S   HC   _H14    62     1.09514   110.54695   175.95765
   72    67 S   OS   _O46    70     1.44858   107.31780   -66.75830
   73    69 S   OS   _O34    63     1.43828   109.38903    57.11744
   74    72 S   CO4  _C15    71     1.36232   117.42003   155.39424
   75    74 S   O    _O47    72     1.22320   126.43140    -0.37949
   76    73 S   CO4  _C5_    64     1.36218   115.72057  -171.85536
   77    76 S   O    _O33    65     1.22345   126.27717     1.71395
   78    74 S   CT   _C16    73     1.49876   109.54181  -178.52236
   79    78 S   HC   _H20    74     1.09275   110.13810   -43.61446
   80    78 S   HC   _H21    75     1.09353   109.38531  -162.02239
   81    78 S   HC   _H22    76     1.09241   109.63601    77.81030
   82    76 S   CT   _C4_    66     1.49854   109.50583  -179.58741
   83    82 S   HC   _H10    67     1.09261   109.72062   -69.24229
   84    82 S   HC   _H11    68     1.09371   109.35107   171.19377
   85    82 S   HC   _H12    69     1.09329   109.98734    52.52232
  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  10   5   4   3
  16   8   2   1   1  14   7  16   7   4   1  12   7   6  12   6
   3   1   3   2   1   1   5   3   6   1   1   7   3   2   7  10
   5   4  10   6   8   4   3   7   6   5   4   5   4   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    55    56    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    55    56    58    59    57    46    42    43  
   38    39    40    47    55    56    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    55    56    58    49    46    51    42    43  
   40    41    44    55    46    42    43  
   41    44    45    47    48    55    57    49    50    46    51    52    53    54    42    43  
   44    45    47    49    46    51    42  
   43    44    46    55  
    0  
   45    47    48    55    56    58    57    60    49    50    46    51  
   47    48    55    57    49    50    46  
   51    52    53    54    47    49  
   48    55    56    58    59    57    60    61    62    63    49    50  
   55    56    58    57    60    49  
   50    55    57  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    58    59    57    60  
   58    59    57  
   60    61    62    63    64    58  
   59  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64    65    66    67    68    69    72  
   65    66    67    68    69    70    71    73    72    74  
   66    67    68    69    72  
   67    68    69    72  
   68    69    70    71    73    76    72    74    75    78  
   69    70    71    73    72    74  
   70    71    73    76    77    82    72    74  
   71    73    76    72  
   73    76    72  
   74    75    78    79    80    81    73  
   76    77    82    83    84    85  
   75    78    79    80    81  
   78    79    80    81  
   77    82    83    84    85  
   82    83    84    85  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   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    55   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    57   320.000  1.410
   55    56   340.000  1.090
   55    58   320.000  1.410
   58    59   553.000  0.945
   57    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    63   230.000  1.697
   63    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   320.000  1.410
   73    76   214.000  1.327
   76    77   570.000  1.229
   76    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   49    50   553.000  0.945
   46    51   230.000  1.630
   51    52   525.000  1.516
   51    53   525.000  1.516
   51    54   525.000  1.516
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    51    80.00000  112.68000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    55    58.35000  112.70000
   44    47    57    50.00000  109.50000
   44    49    50    55.00000  108.50000
   47    44    45    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    58    50.00000  109.50000
   47    57    60   100.00000  120.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    47    48    37.50000  110.70000
   55    58    59    55.00000  108.50000
   58    55    56    35.00000  109.50000
   57    47    48    35.00000  109.50000
   57    47    55    50.00000  109.50000
   57    60    61   100.00000  108.23000
   57    60    62   100.00000  108.23000
   57    60    63    45.00000  102.60000
   60    63    64   100.00000  120.50000
   62    60    61   140.00000  119.90000
   63    60    61   100.00000  108.23000
   63    60    62   100.00000  108.23000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    67    50.00000  109.50000
   64    67    68    37.50000  110.70000
   64    67    69    58.35000  112.70000
   64    67    72    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    73    50.00000  109.50000
   67    72    74    83.00000  116.90000
   69    67    68    37.50000  110.70000
   69    73    76    83.00000  116.90000
   71    69    70    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    35.00000  109.50000
   73    76    77    83.00000  123.40000
   73    76    82    81.00000  111.40000
   76    82    83    35.00000  109.50000
   76    82    84    35.00000  109.50000
   76    82    85    35.00000  109.50000
   82    76    77    80.00000  120.40000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    50.00000  109.50000
   72    74    75    83.00000  123.40000
   72    74    78    81.00000  111.40000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   78    74    75    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    51    52   100.00000  107.00000
   46    51    53   100.00000  107.00000
   46    51    54   100.00000  107.00000
   53    51    52   140.00000  114.00000
   54    51    52   140.00000  114.00000
   54    51    53   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    58   0.56750  1.0 1.0
   29    33    55    58  -0.07550 -1.0 2.0
   29    33    55    58   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    55    58    59  -0.11600  1.0 1.0
   33    55    58    59  -0.09450 -1.0 2.0
   33    55    58    59   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    55    47   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    58   0.23400  1.0 3.0
   38    33    55    47   0.56750  1.0 1.0
   38    33    55    47  -0.07550 -1.0 2.0
   38    33    55    47   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    58   0.86500  1.0 1.0
   38    33    55    58  -0.17500 -1.0 2.0
   38    33    55    58   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.86500  1.0 1.0
   38    40    44    49  -0.17500 -1.0 2.0
   38    40    44    49   0.20800  1.0 3.0
   38    40    46    51  -2.65550  1.0 1.0
   38    40    46    51  -0.22350 -1.0 2.0
   38    40    46    51   0.24150  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    55   0.56750  1.0 1.0
   40    44    47    55  -0.07550 -1.0 2.0
   40    44    47    55   0.20000  1.0 3.0
   40    44    47    57   0.62750  1.0 1.0
   40    44    47    57  -0.30950 -1.0 2.0
   40    44    47    57   0.27300  1.0 3.0
   40    44    49    50  -0.11600  1.0 1.0
   40    44    49    50  -0.09450 -1.0 2.0
   40    44    49    50   0.21250  1.0 3.0
   40    46    51    52   0.00000  1.0 1.0
   40    46    51    53   0.00000  1.0 1.0
   40    46    51    54   0.00000  1.0 1.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    51   0.03000  1.0 3.0
   44    40    46    51  -2.65550  1.0 1.0
   44    40    46    51  -0.22350 -1.0 2.0
   44    40    46    51   0.24150  1.0 3.0
   44    47   -55    33   0.56750  1.0 1.0
   44    47   -55    33  -0.07550 -1.0 2.0
   44    47   -55    33   0.20000  1.0 3.0
   44    47    55    56   0.15000  1.0 3.0
   44    47    55    58   0.86500  1.0 1.0
   44    47    55    58  -0.17500 -1.0 2.0
   44    47    55    58   0.20800  1.0 3.0
   44    47    57    60  -2.65550  1.0 1.0
   44    47    57    60  -0.22350 -1.0 2.0
   44    47    57    60   0.24150  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    55   0.15000  1.0 3.0
   45    44    47    57   0.23400  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   47    44    49    50  -0.11600  1.0 1.0
   47    44    49    50  -0.09450 -1.0 2.0
   47    44    49    50   0.21250  1.0 3.0
   47    55    58    59  -0.11600  1.0 1.0
   47    55    58    59  -0.09450 -1.0 2.0
   47    55    58    59   0.21250  1.0 3.0
   47    57    60    61   0.00000  1.0 1.0
   47    57    60    62   0.00000  1.0 1.0
   47    57    60    63   0.05050  1.0 1.0
   47    57    60    63  -1.30700 -1.0 2.0
   47    57    60    63   0.91550  1.0 3.0
   48    47    55    33   0.15000  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    58   0.23400  1.0 3.0
   48    47    57    60   0.03000  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.86500  1.0 1.0
   55    33    38    42  -0.17500 -1.0 2.0
   55    33    38    42   0.20800  1.0 3.0
   55    47    57    60  -2.65550  1.0 1.0
   55    47    57    60  -0.22350 -1.0 2.0
   55    47    57    60   0.24150  1.0 3.0
   56    55    58    59   0.19450  1.0 3.0
   57    47    55    33   0.62750  1.0 1.0
   57    47    55    33  -0.30950 -1.0 2.0
   57    47    55    33   0.27300  1.0 3.0
   57    47    55    56   0.23400  1.0 3.0
   57    47    55    58   3.69350  1.0 1.0
   57    47    55    58  -1.82950 -1.0 2.0
   57    60    63    64   0.05050  1.0 1.0
   57    60    63    64  -1.30700 -1.0 2.0
   57    60    63    64   0.91550  1.0 3.0
   60    63    64    65   0.03000  1.0 3.0
   60    63    64    66   0.03000  1.0 3.0
   60    63    64    67  -2.65550  1.0 1.0
   60    63    64    67  -0.22350 -1.0 2.0
   60    63    64    67   0.24150  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   62    60    63    64   0.00000  1.0 1.0
   63    64    67    68   0.23400  1.0 3.0
   63    64    67    69   0.62750  1.0 1.0
   63    64    67    69  -0.30950 -1.0 2.0
   63    64    67    69   0.27300  1.0 3.0
   63    64    67    72   1.11900  1.0 1.0
   63    64    67    72  -1.16350 -1.0 2.0
   63    64    67    72  -0.34150  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    69    71   0.15000  1.0 3.0
   64    67    69    73   0.62750  1.0 1.0
   64    67    69    73  -0.30950 -1.0 2.0
   64    67    69    73   0.27300  1.0 3.0
   64    67    72    74  -0.25900  1.0 1.0
   64    67    72    74  -0.47000 -1.0 2.0
   64    67    72    74   0.11750  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    72   0.23400  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    72   0.23400  1.0 3.0
   67    69    73    76  -0.25900  1.0 1.0
   67    69    73    76  -0.47000 -1.0 2.0
   67    69    73    76   0.11750  1.0 3.0
   67    72    74    75   3.00000 -1.0 2.0
   67    72    74    78   1.63150  1.0 1.0
   67    72    74    78   2.92000 -1.0 2.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    73   0.23400  1.0 3.0
   68    67    72    74   0.08050  1.0 3.0
   69    67    72    74  -0.25900  1.0 1.0
   69    67    72    74  -0.47000 -1.0 2.0
   69    67    72    74   0.11750  1.0 3.0
   69    73    76    77   3.00000 -1.0 2.0
   69    73    76    82   1.63150  1.0 1.0
   69    73    76    82   2.92000 -1.0 2.0
   70    69    73    76   0.08050  1.0 3.0
   71    69    73    76   0.08050  1.0 3.0
   73    76    82    83   0.00000  1.0 1.0
   73    76    82    84   0.00000  1.0 1.0
   73    76    82    85   0.00000  1.0 1.0
   77    76    82    83   0.00000  1.0 1.0
   77    76    82    84   0.00000  1.0 1.0
   77    76    82    85   0.00000  1.0 1.0
   72    67    69    70   0.23400  1.0 3.0
   72    67    69    71   0.23400  1.0 3.0
   72    67    69    73   1.11900  1.0 1.0
   72    67    69    73  -1.16350 -1.0 2.0
   72    67    69    73  -0.34150  1.0 3.0
   72    74    78    79   0.00000  1.0 1.0
   72    74    78    80   0.00000  1.0 1.0
   72    74    78    81   0.00000  1.0 1.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    55   0.86500  1.0 1.0
   49    44    47    55  -0.17500 -1.0 2.0
   49    44    47    55   0.20800  1.0 3.0
   49    44    47    57   3.69350  1.0 1.0
   49    44    47    57  -1.82950 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   73    82    76    77  10.50000 -1.0 2.0
   72    78    74    75  10.50000 -1.0 2.0
END
