* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    152    238     458
    1     0 S   NP   _N1_     1    29.74001    91.87809   -24.24468
    2     1 S   H    _HN1     2     1.02813     8.05820    97.49028
    3     1 S   H    _H1_     3     1.02766   100.84532  -108.52177
    4     1 S   H    _H2_     4     1.03030   106.98679     4.19582
    5     1 S   CT   _CA1     5     1.50147   117.87446   129.21182
    6     5 S   HC   _HA1     6     1.09561   105.14996    59.29904
    7     5 S   CO3  _C1_     7     1.53900   112.64364   -60.79158
    8     7 S   O2Z  _O11     8     1.26400   115.19790   -36.92047
    9     7 S   O2Z  _O12     9     1.26256   114.88821   142.09008
   10     5 S   CT   _CB1    10     1.53022   107.16649   177.40444
   11    10 S   HC   HB11    11     1.09834   109.53684   -45.97197
   12    10 S   HC   HB12    12     1.09813   110.15953    70.55905
   13    10 S   CT   _CG1    13     1.53013   113.12615  -167.17879
   14    13 S   HC   HG11    14     1.09559   110.45846   -60.54173
   15    13 S   HC   HG12    15     1.09605   110.24045    58.99536
   16    13 S   C    _CD1    16     1.51791   111.67167   179.28482
   17    16 S   O    _OE1    17     1.22780   123.06733    -7.11025
   18    16 S   N    _N2_    18     1.38664   112.00389   172.65463
   19    18 S   H    _HN2    19     1.01573   119.27816     3.75588
   20    18 S   CT1  _CA2    20     1.46145   122.98828  -174.95679
   21    20 S   HC   _HA2    21     1.09608   109.13897    -3.95250
   22    20 S   C    _C2_    22     1.53407   109.45344  -119.21758
   23    22 S   O    _O2_    23     1.23044   121.99216  -149.48761
   24    20 S   CT   _CB2    32     1.53676   111.86620   117.63655
   25    24 S   HC   HB21    33     1.09668   109.36631    71.70011
   26    24 S   HC   HB22    34     1.09538   110.61217  -171.56581
   27    22 S   N    _N3_    24     1.38437   113.62509    38.08109
   28    27 S   H    _HN3    25     1.01501   118.92290    -0.75744
   29    24 S   S    _SG2    35     1.83081   115.32181   -47.34187
   30    27 S   CT   _CA3    26     1.45448   123.49070   174.77715
   31    30 S   HC   HA31    27     1.09520   109.27253    23.78807
   32    30 S   HC   HA32    28     1.09495   107.11576   140.82236
   33    29 S   CT   _C9_    36     1.83239   100.94049   -63.91110
   34    33 S   HC   _H6_    37     1.09166   105.01624    48.23493
   35    30 S   CO3  _C3_    29     1.52934   113.09345   -99.69584
   36    35 S   O2Z  _O31    30     1.26405   115.41649   -43.74660
   37    35 S   O2Z  _O32    31     1.26355   114.97442   137.18186
   38    33 S   CT   _C8_    38     1.53772   116.38609   -72.33888
   39    38 S   HC   _H5_    39     1.09913   107.54246    85.26507
   40    38 S   CT   _C7_    40     1.55830   111.27955  -154.52311
   41    40 S   HC   _H4_    41     1.10048   108.75197    85.19005
   42    38 S   CO3  _C17    81     1.54671   114.06104   -34.03952
   43    42 S   O2Z  _O41    82     1.26265   116.36444   -58.91514
   44    42 S   O2Z  _O40    83     1.26515   114.31764   121.39254
   45    40 S   CT   _C6_    42     1.55497   111.95341   -30.32889
   46    45 S   HC   _H3_    43     1.09935   107.66947   170.26589
   47    40 S   CT   _C18    75     1.54218   110.77042  -158.18646
   48    47 S   HC   _H22    76     1.09548   110.50964   -52.87098
   49    47 S   HC   _H23    77     1.09480   111.80505    66.60506
   50    45 S   CO   _C10    44     1.55461   110.74652    52.54309
   51    50 S   HC   _H7_    45     1.09874   110.48018  -134.81029
   52    45 S   CM   _C5_    70     1.51672   112.86739   -71.54654
   53    52 S   HC   _H15    71     1.08705   118.18187    59.59467
   54    47 S   CO4  _C19    78     1.50745   111.49813  -170.74980
   55    54 S   O    _O42    79     1.22705   123.36406  -127.63305
   56    54 S   HC   _H24    80     1.10354   115.82198    54.79725
   57    33 S   OS   _O33    46     1.42810   110.21731   162.59702
   58    50 S   OS1  _O34    47     1.43520   108.02182   107.00395
   59    52 S   CM   _C4_    72     1.33860   123.85283  -120.53718
   60    59 S   HC   _H13    73     1.08473   120.44908  -179.98022
   61    59 S   HC   _H14    74     1.08454   121.65775     0.21306
   62    58 S   CO1  _C11    48     1.43311   112.13984   162.77935
   63    62 S   HC   _H8_    49     1.09857   109.39291    38.77336
   64    62 S   CT   _C12    50     1.53176   107.94296   158.21782
   65    64 S   HC   _H9_    51     1.09664   110.21578    54.37679
   66    64 S   CT   _C13    52     1.53044   110.55915   176.28685
   67    66 S   HC   _H10    53     1.09671   110.27106    72.63892
   68    64 S   OH5  _O39    68     1.42889   110.19320   -62.76072
   69    68 S   HO   _H21    69     0.97255   108.23599   -55.28033
   70    66 S   CT   _C14    54     1.53134   111.29784   -50.11552
   71    70 S   HC   _H11    55     1.09708   108.95707   -72.72901
   72    66 S   OH5  _O38    66     1.42993   109.65364  -171.42224
   73    72 S   HO   _H20    67     0.97230   108.12823    59.60154
   74    70 S   CT   _C15    56     1.53306   111.36450    48.81384
   75    74 S   HC   _H12    57     1.09606   110.94548    66.55294
   76    70 S   OH5  _O37    64     1.42722   109.51871   170.59717
   77    76 S   HO   _H19    65     0.97381   108.02633   -61.52957
   78    62 S   OS1  _O35    58     1.42982   110.02206   -82.08306
   79    74 S   CT   _C16    59     1.53088   110.98166  -172.70042
   80    79 S   HC   _H16    60     1.09530   110.77175    72.05298
   81    79 S   HC   _H17    61     1.09383   111.74133   -50.21131
   82    79 S   OH5  _O36    62     1.42519   109.38779  -169.11275
   83    82 S   HO   _H18    63     0.97284   106.87429  -167.91938
  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
  14   6   2   1   1  15   8  19   9   5   1   1  15   8   7   4
   3  10   4   6   3   2   1   1   2   8   2   1   1  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    50    51    57    58    47    42    43    44  
   38    39    40    50    57    42  
   36    37  
   37  
    0  
   39    40    41    45    46    50    57    52    47    48    49    54    42    43    44  
   40    41    45    57    47    42    43    44  
   41    45    46    50    51    57    58    52    53    59    47    48    49    54    55    56    42    43    44  
   45    46    50    52    47    48    49    54    42  
   43    44    45    47    57  
   44  
    0  
   46    50    51    57    58    62    52    53    59    60    61    47    48    49    54  
   50    51    57    58    52    53    59    47  
   48    49    54    55    56    50    52  
   49    54    55    56  
   54    55    56  
   51    57    58    62    63    64    78    52    53    59  
   57    58    62    52  
   53    59    60    61    57    58  
   59    60    61  
   55    56  
   56  
    0  
   58    62  
   62    63    64    65    66    74    78    68  
   60    61  
   61  
    0  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   56   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    57   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    45   268.000  1.529
   40    47   268.000  1.529
   45    46   340.000  1.090
   45    50   250.000  1.527
   45    52   317.000  1.510
   50    51   340.000  1.090
   50    57   320.000  1.380
   50    58   320.000  1.380
   58    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   52    53   340.000  1.080
   52    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   317.000  1.522
   54    55   570.000  1.229
   54    56   340.000  1.090
   42    43   656.000  1.250
   42    44   656.000  1.250
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    57    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    70.00000  109.69300
   33    57    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    70.00000  117.00000
   38    42    44    70.00000  117.00000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    50    75.00000  109.43000
   40    45    52    70.00000  112.02700
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    54    63.00000  111.10000
   45    40    41    37.50000  110.70000
   45    50    51    45.00000  112.01100
   45    50    57    90.00000  108.56700
   45    50    58    90.00000  108.56700
   45    52    53    35.00000  117.00000
   45    52    59    70.00000  124.00000
   50    45    46    45.00000  108.72000
   50    58    62    90.00000  112.10700
   57    33    34    35.00000  109.50000
   57    33    38    50.00000  109.50000
   57    50    51    35.00000  109.50000
   58    50    51    35.00000  109.50000
   58    50    57    92.60000  111.55000
   58    62    63    60.00000  105.75400
   58    62    64    90.00000  109.70700
   58    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   52    45    46    35.00000  109.50000
   52    45    50    70.00000  112.02700
   52    59    60    35.00000  120.00000
   52    59    61    35.00000  120.00000
   59    52    53    35.00000  120.00000
   61    59    60    35.00000  117.00000
   47    40    41    37.50000  110.70000
   47    40    45    58.35000  112.70000
   47    54    55    80.00000  120.40000
   47    54    56    35.00000  115.00000
   49    47    48    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    49    35.00000  109.50000
   56    54    55    35.00000  123.00000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  109.69300
   44    42    43    80.00000  126.00000
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    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   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    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    57    50   0.14700  1.0 1.0
   29    33    57    50  -1.16150 -1.0 2.0
   29    33    57    50   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    40    47   0.56750  1.0 1.0
   33    38    40    47  -0.07550 -1.0 2.0
   33    38    40    47   0.20000  1.0 3.0
   33    38    42    43   0.41150 -1.0 2.0
   33    38    42    44   0.41150 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    57    50   0.37050  1.0 3.0
   38    33    57    50   0.06250  1.0 1.0
   38    33    57    50  -0.01100 -1.0 2.0
   38    33    57    50   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40   -45    50   3.97050  1.0 1.0
   38    40    45    52   0.34400  1.0 1.0
   38    40    45    52   0.09450 -1.0 2.0
   38    40    45    52   0.11100  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40    47    49   0.15000  1.0 3.0
   38    40    47    54  -0.95700  1.0 1.0
   38    40    47    54  -0.18200 -1.0 2.0
   38    40    47    54   0.29450  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    40    47   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    44   0.00000  1.0 1.0
   40    38    42    43   0.41150 -1.0 2.0
   40    38    42    44   0.41150 -1.0 2.0
   40    45    50    51   0.15000  1.0 3.0
   40    45    50    57   0.62750  1.0 1.0
   40    45    50    57  -0.30950 -1.0 2.0
   40    45    50    57   0.27300  1.0 3.0
   40    45    50    58   0.62750  1.0 1.0
   40    45    50    58  -0.30950 -1.0 2.0
   40    45    50    58   0.27300  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    59   0.09850  1.0 1.0
   40    45    52    59   0.15250 -1.0 2.0
   40    45    52    59  -0.50650  1.0 3.0
   40    47    54    55   0.30150 -1.0 2.0
   40    47    54    56   0.74550  1.0 1.0
   40    47    54    56  -0.00500 -1.0 2.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    50   0.15000  1.0 3.0
   41    40    45    52   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    54  -0.11250  1.0 3.0
   45    40    47    48   0.15000  1.0 3.0
   45    40    47    49   0.15000  1.0 3.0
   45    40    47    54  -0.95700  1.0 1.0
   45    40    47    54  -0.18200 -1.0 2.0
   45    40    47    54   0.29450  1.0 3.0
   45    50   -57    33   0.06250  1.0 1.0
   45    50   -57    33  -0.01100 -1.0 2.0
   45    50   -57    33   0.28050  1.0 3.0
   45    50    58    62   0.06250  1.0 1.0
   45    50    58    62  -0.01100 -1.0 2.0
   45    50    58    62   0.28050  1.0 3.0
   45    52    59    60   7.00000 -1.0 2.0
   45    52    59    61   7.00000 -1.0 2.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    57   0.23400  1.0 3.0
   46    45    50    58   0.23400  1.0 3.0
   46    45    52    53   0.33100  1.0 3.0
   46    45    52    59   0.00000  1.0 1.0
   50    45    52    53   0.00000  1.0 1.0
   50    45    52    59   0.09850  1.0 1.0
   50    45    52    59   0.15250 -1.0 2.0
   50    45    52    59  -0.50650  1.0 3.0
   50    58    62    63   0.37050  1.0 3.0
   50    58    62    64   0.06250  1.0 1.0
   50    58    62    64  -0.01100 -1.0 2.0
   50    58    62    64   0.28050  1.0 3.0
   50    58    62    78  -0.12700  1.0 1.0
   50    58    62    78  -1.16200 -1.0 2.0
   50    58    62    78   0.58800  1.0 3.0
   51    50    57    33   0.37050  1.0 3.0
   51    50    58    62   0.37050  1.0 3.0
   57    33    38    39   0.23400  1.0 3.0
   57    33   -38    40   0.62750  1.0 1.0
   57    33   -38    40  -0.30950 -1.0 2.0
   57    33   -38    40   0.27300  1.0 3.0
   57    33    38    42  -3.35100  1.0 1.0
   57    33    38    42  -0.37050 -1.0 2.0
   57    33    38    42   0.22400  1.0 3.0
   57    50    58    62  -0.53350  1.0 1.0
   57    50    58    62  -0.78350 -1.0 2.0
   57    50    58    62   0.33750  1.0 3.0
   58    50    57    33  -0.81800  1.0 1.0
   58    62    64    65   0.23400  1.0 3.0
   58    62    64    66   0.62750  1.0 1.0
   58    62    64    66  -0.30950 -1.0 2.0
   58    62    64    66   0.27300  1.0 3.0
   58    62    64    68   1.51850  1.0 1.0
   58    62    78    74  -0.70400  1.0 1.0
   58    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82  -0.47750  1.0 1.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   0.37050  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    82   0.23400  1.0 3.0
   78    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   52    45    50    51   0.15000  1.0 3.0
   52    45    50    57   0.61850  1.0 1.0
   52    45    50    57  -0.22750 -1.0 2.0
   52    45    50    57   0.15300  1.0 3.0
   52    45    50    58   0.61850  1.0 1.0
   52    45    50    58  -0.22750 -1.0 2.0
   52    45    50    58   0.15300  1.0 3.0
   53    52    59    60   7.00000 -1.0 2.0
   53    52    59    61   7.00000 -1.0 2.0
   47    40    45    46   0.15000  1.0 3.0
   47    40    45    50   3.97050  1.0 1.0
   47    40    45    52   0.34400  1.0 1.0
   47    40    45    52   0.09450 -1.0 2.0
   47    40    45    52   0.11100  1.0 3.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    56   0.00000  1.0 1.0
   49    47    54    55   0.00000  1.0 1.0
   49    47    54    56   0.00000  1.0 1.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    45  -1.63150  1.0 1.0
   42    38    40    45  -0.43550 -1.0 2.0
   42    38    40    45   0.24500  1.0 3.0
   42    38    40    47  -1.63150  1.0 1.0
   42    38    40    47  -0.43550 -1.0 2.0
   42    38    40    47   0.24500  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
   45    53    52    59  15.00000 -1.0 2.0
   60    61    59    52  15.00000 -1.0 2.0
   47    56    54    55  10.50000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
END
