* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    155    242     460
    1     0 S   NP   _N1_     1    28.85593    95.79029   -19.80173
    2     1 S   H    _HN1     2     1.02867    84.18152    23.96346
    3     1 S   H    _H1_     3     1.02939    42.18761   148.00866
    4     1 S   H    _H2_     4     1.02801    82.66301   -85.25518
    5     1 S   CT   _CA1     5     1.50419   152.36624   150.11390
    6     5 S   HC   _HA1     6     1.09717   104.65352    60.99327
    7     5 S   CO3  _C1_     7     1.54300   110.84591   -55.09753
    8     7 S   O2Z  _O11     8     1.26015   116.53401  -107.64538
    9     7 S   O2Z  _O12     9     1.26520   113.84081    70.73943
   10     5 S   CT   _CB1    10     1.53163   107.05874   176.74791
   11    10 S   HC   HB11    11     1.09818   109.53266   -46.60366
   12    10 S   HC   HB12    12     1.09763   110.65104    70.16675
   13    10 S   CT   _CG1    13     1.52878   112.01793  -167.29027
   14    13 S   HC   HG11    14     1.09415   110.62460   -61.94999
   15    13 S   HC   HG12    15     1.09643   109.67524    56.87779
   16    13 S   C    _CD1    16     1.51681   112.73272   176.14995
   17    16 S   O    _OE1    17     1.22728   123.17684   -13.67752
   18    16 S   N    _N2_    18     1.38613   111.58555   168.39020
   19    18 S   H    _HN2    19     1.01563   119.19537    -2.48089
   20    18 S   CT1  _CA2    20     1.46131   123.53970   174.49897
   21    20 S   HC   _HA2    21     1.09700   109.27277    -2.42430
   22    20 S   C    _C2_    22     1.53695   109.01213  -118.22238
   23    22 S   O    _O2_    23     1.23078   121.99145  -159.88364
   24    20 S   CT   _CB2    32     1.53312   111.63989   119.85907
   25    24 S   HC   HB21    33     1.09283   109.77810    61.00643
   26    24 S   HC   HB22    34     1.09539   110.37344   178.48186
   27    22 S   N    _N3_    24     1.38245   114.04168    26.33762
   28    27 S   H    _HN3    25     1.01588   119.26457    -1.64116
   29    24 S   S    _SG2    35     1.82783   111.69900   -62.56523
   30    27 S   CT   _CA3    26     1.45239   123.62274   179.01583
   31    30 S   HC   HA31    27     1.09526   107.41277   -71.33832
   32    30 S   HC   HA32    28     1.09554   108.22739    45.27043
   33    29 S   CT   _C19    36     1.84599   100.50019   134.03417
   34    33 S   HC   _H5_    37     1.09479   105.09064    50.40704
   35    30 S   CO3  _C3_    29     1.53019   113.80892   167.54180
   36    35 S   O2Z  _O31    30     1.26396   116.04387     6.11536
   37    35 S   O2Z  _O32    31     1.26412   114.45412  -173.89013
   38    33 S   CM   _C20    38     1.51450   107.73566   166.34565
   39    38 S   HC   _H24    39     1.08877   116.18965    61.29330
   40    33 S   CM   _C5_    46     1.53941   111.70253   -70.26561
   41    38 S   CM   _C21    40     1.34201   125.31175  -118.67528
   42    40 S   CMA  _C6_    47     1.36626   121.01203   117.26757
   43    42 S   OM   _O35    48     1.26529   129.95069    -1.14808
   44    40 S   CT   _C4_    80     1.51686   115.98506   -64.34492
   45    44 S   HC   _H6_    81     1.09472   110.06663   -84.98105
   46    44 S   HC   _H7_    82     1.09374   111.98052    35.05270
   47    44 S   HC   _H8_    83     1.09259   112.86125   153.62482
   48    41 S   CO3  _C22    41     1.55052   122.25469  -179.97202
   49    48 S   O2Z  _O37    42     1.26278   116.86609    -0.35498
   50    48 S   O2Z  _O36    43     1.26797   113.95590   179.74666
   51    41 S   OH   _O38    44     1.38275   121.71235     0.09691
   52    51 S   HO   _H25    45     0.97554   106.10197  -179.06038
   53    42 S   CT   _C7_    49     1.53868   120.39715   176.46509
   54    53 S   HC   _H9_    50     1.09938   110.17623  -140.36269
   55    53 S   HC   _H10    51     1.09663   110.81313   -26.67646
   56    53 S   CT   _C8_    52     1.54256   112.39199    96.34809
   57    56 S   HC   _H11    53     1.09748   109.89166    65.04875
   58    56 S   HC   _H12    54     1.09510   107.78552   -50.98733
   59    56 S   CT   _C9_    55     1.53901   113.11112  -171.70114
   60    59 S   HC   _H3_    56     1.09505   108.38553    46.75319
   61    59 S   CO4  _C17    57     1.54107   112.94183   -72.76443
   62    61 S   O    _O34    58     1.23061   122.97689     9.69696
   63    61 S   CT   _C16    59     1.52556   117.03268  -173.62483
   64    63 S   HC   _H19    60     1.09577   108.62138   168.77965
   65    63 S   HC   _H20    61     1.09495   107.77704   -75.23360
   66    63 S   CT   _C15    62     1.53203   112.66124    47.74059
   67    66 S   HC   _H17    63     1.09817   109.20934    72.31453
   68    66 S   HC   _H18    64     1.09663   109.82350  -171.89252
   69    66 S   CT   _C14    65     1.52723   111.03258   -48.88451
   70    69 S   CO4  _C13    66     1.51852   115.97696   166.92884
   71    70 S   O    _O33    67     1.22405   124.61884    41.42671
   72    69 S   CT   _C18    76     1.53853   111.43836   -70.70625
   73    72 S   HC   _H21    77     1.09310   112.86227    60.86683
   74    72 S   HC   _H22    78     1.09682   110.21124   -59.00369
   75    72 S   HC   _H23    79     1.09487   112.29961  -177.37676
   76    70 S   CT   _C12    68     1.51730   111.48534  -139.85768
   77    76 S   HC   _H15    69     1.09372   108.79515   117.50329
   78    76 S   HC   _H16    70     1.09204   111.15301  -120.07041
   79    76 S   CT   _C11    71     1.53420   102.97099    -0.46055
   80    79 S   HC   _H13    72     1.09414   110.63014   147.47750
   81    79 S   HC   _H14    73     1.09483   110.96485   -92.68562
   82    59 S   CT   _C10    74     1.53389   111.74960   169.25504
   83    82 S   HC   _H4_    75     1.10451   106.65961    65.36826
  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  10   4  11   5  12   5   4   2   1   1   4
   2   1   1   1   9   5   4  11   5   4  16   7  11   5   9   5
   4  13   5   4  14  13   6   7   3   2   1   7   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    48    51    40    42    43    53    44    45    46    47  
   38    39    41    40    42    44  
   36    37  
   37  
    0  
   39    41    48    49    50    51    52    40    42    44  
   41    48    51    40  
   42    43    53    54    55    56    44    45    46    47    41  
   48    49    50    51    52  
   43    53    54    55    56    57    58    59    44    45    46    47  
   53    54    55    56    44  
   45    46    47    53  
   46    47  
   47  
    0  
   49    50    51    52  
   50    51  
   51  
   52  
    0  
   54    55    56    57    58    59    60    61    82  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    62    63    69    79    82    83  
   58    59    60    61    82  
   59    60    61    82  
   60    61    62    63    64    65    66    69    70    76    79    80    81    82    83    72  
   61    62    63    69    79    82    83  
   62    63    64    65    66    67    68    69    79    82    83  
   63    64    65    66    82  
   64    65    66    67    68    69    70    82    72  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    76    79    82    83    72    73    74    75  
   68    69    70    82    72  
   69    70    82    72  
   70    71    76    77    78    79    80    81    82    83    72    73    74    75  
   71    76    77    78    79    80    81    82    83    72    73    74    75  
   76    77    78    79    82    72  
   73    74    75    76    79    82    83  
   74    75    82  
   75    82  
   82  
   77    78    79    80    81    82    83  
   78    79    80    81    82  
   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  -0.335000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    48   230.000  1.545
   41    51   510.000  1.338
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   553.000  0.945
   40    42   465.000  1.376
   40    44   317.000  1.510
   42    43   745.000  1.250
   42    53   270.000  1.512
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   317.000  1.522
   59    82   268.000  1.529
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   317.000  1.522
   69    82   268.000  1.529
   69    72   268.000  1.529
   70    71   570.000  1.229
   70    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    42    70.00000  124.00000
   33    40    44    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    48    55.00000  124.75400
   38    41    51    80.00000  121.38400
   41    38    39    35.00000  120.00000
   41    48    49    85.00000  113.83300
   41    48    50    85.00000  113.83300
   41    51    52    70.00000  107.45700
   50    48    49    80.00000  126.00000
   51    41    48    80.00000  119.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    42    43    65.00000  137.10300
   40    42    53    65.00000  122.18000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   42    53    54    45.00000  110.52000
   42    53    55    45.00000  110.52000
   42    53    56    70.00000  112.02700
   53    42    43    85.00000  112.85300
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    63.00000  111.10000
   56    59    82    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    80.00000  120.40000
   59    61    63    70.00000  116.00000
   59    82    69    58.35000  112.70000
   59    82    79    58.35000  112.70000
   59    82    83    37.50000  110.70000
   61    59    60    35.00000  109.50000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    63.00000  111.10000
   63    61    62    80.00000  120.40000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    63.00000  111.10000
   66    69    82    58.35000  112.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    70    71    80.00000  120.40000
   69    70    76    70.00000  116.00000
   69    82    79    58.35000  112.70000
   69    82    83    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    63.00000  111.10000
   76    70    71    80.00000  120.40000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    59    60    37.50000  110.70000
   82    59    61    63.00000  111.10000
   82    69    70    63.00000  111.10000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   72    69    70    63.00000  111.10000
   72    69    82    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   44    40    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    42   0.42700  1.0 1.0
   29    33    40    42  -0.70350 -1.0 2.0
   29    33    40    42  -0.43150  1.0 3.0
   29    33    40    44   0.30250  1.0 1.0
   29    33    40    44  -0.14950 -1.0 2.0
   29    33    40    44   0.36900  1.0 3.0
   33    38    41    48   7.00000 -1.0 2.0
   33    38    41    51   7.00000 -1.0 2.0
   33    40    42    43   7.00000 -1.0 2.0
   33    40    42    53   7.00000 -1.0 2.0
   33    40    44    45   0.34800  1.0 3.0
   33    40    44    46   0.34800  1.0 3.0
   33    40    44    47   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    42   0.00000  1.0 1.0
   34    33    40    44   0.34800  1.0 3.0
   38    33    40    42  -0.28300  1.0 1.0
   38    33    40    42   0.26700 -1.0 2.0
   38    33    40    42  -0.63300  1.0 3.0
   38    33    40    44   0.09700  1.0 1.0
   38    33    40    44   0.15600 -1.0 2.0
   38    33    40    44  -0.50800  1.0 3.0
   38    41    48    49  -0.04000 -1.0 2.0
   38    41    48    49  -0.29050  1.0 3.0
   38    41    48    50  -0.04000 -1.0 2.0
   38    41    48    50  -0.29050  1.0 3.0
   38    41    51    52  -0.66100  1.0 1.0
   38    41    51    52   1.20850 -1.0 2.0
   38    41    51    52  -0.36000  1.0 3.0
   39    38    41    48   7.00000 -1.0 2.0
   39    38    41    51   7.00000 -1.0 2.0
   48    41    51    52   2.00000 -1.0 2.0
   51    41    48    49   1.68800 -1.0 2.0
   51    41    48    50   1.68800 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   40    42    53    54   0.00000  1.0 1.0
   40    42    53    55   0.00000  1.0 1.0
   40    42    53    56   0.09850  1.0 1.0
   40    42    53    56   0.15250 -1.0 2.0
   40    42    53    56  -0.50650  1.0 3.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    46   0.00000  1.0 1.0
   42    40    44    47   0.00000  1.0 1.0
   42    53    56    57   0.15000  1.0 3.0
   42    53    56    58   0.15000  1.0 3.0
   42    53    56    59   0.34400  1.0 1.0
   42    53    56    59   0.09450 -1.0 2.0
   42    53    56    59   0.11100  1.0 3.0
   43    42    53    54   0.00000  1.0 1.0
   43    42    53    55   0.00000  1.0 1.0
   43    42    53    56   0.09700  1.0 1.0
   43    42    53    56   0.15600 -1.0 2.0
   43    42    53    56  -0.50800  1.0 3.0
   53    56    59    60   0.15000  1.0 3.0
   53    56    59    61  -0.95700  1.0 1.0
   53    56    59    61  -0.18200 -1.0 2.0
   53    56    59    61   0.29450  1.0 3.0
   53    56    59    82   0.56750  1.0 1.0
   53    56    59    82  -0.07550 -1.0 2.0
   53    56    59    82   0.20000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    61    62   0.30150 -1.0 2.0
   56    59    61    63   0.60050  1.0 1.0
   56    59    61    63   0.05600 -1.0 2.0
   56    59    61    63   0.26150  1.0 3.0
   56    59    82    69   0.56750  1.0 1.0
   56    59    82    69  -0.07550 -1.0 2.0
   56    59    82    69   0.20000  1.0 3.0
   56    59    82    79   0.56750  1.0 1.0
   56    59    82    79  -0.07550 -1.0 2.0
   56    59    82    79   0.20000  1.0 3.0
   56    59    82    83   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61  -0.11250  1.0 3.0
   57    56    59    82   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61  -0.11250  1.0 3.0
   58    56    59    82   0.15000  1.0 3.0
   59    61    63    64   0.00000  1.0 1.0
   59    61    63    65   0.00000  1.0 1.0
   59    61    63    66   0.60050  1.0 1.0
   59    61    63    66   0.05600 -1.0 2.0
   59    61    63    66   0.26150  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    82    69   0.15000  1.0 3.0
   60    59    82    79   0.15000  1.0 3.0
   60    59    82    83   0.15000  1.0 3.0
   61    59    82    69  -0.95700  1.0 1.0
   61    59    82    69  -0.18200 -1.0 2.0
   61    59    82    69   0.29450  1.0 3.0
   61    59    82    79  -0.95700  1.0 1.0
   61    59    82    79  -0.18200 -1.0 2.0
   61    59    82    79   0.29450  1.0 3.0
   61    59    82    83  -0.11250  1.0 3.0
   61    63    66    67  -0.11250  1.0 3.0
   61    63    66    68  -0.11250  1.0 3.0
   61    63   -66    69  -0.95700  1.0 1.0
   61    63   -66    69  -0.18200 -1.0 2.0
   61    63   -66    69   0.29450  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    66   0.30150 -1.0 2.0
   63    66    69    70  -0.95700  1.0 1.0
   63    66    69    70  -0.18200 -1.0 2.0
   63    66    69    70   0.29450  1.0 3.0
   63    66    69    82   0.56750  1.0 1.0
   63    66    69    82  -0.07550 -1.0 2.0
   63    66    69    82   0.20000  1.0 3.0
   63    66    69    72   0.56750  1.0 1.0
   63    66    69    72  -0.07550 -1.0 2.0
   63    66    69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    70    71   0.30150 -1.0 2.0
   66    69    70    76   0.60050  1.0 1.0
   66    69    70    76   0.05600 -1.0 2.0
   66    69    70    76   0.26150  1.0 3.0
   66    69   -82    59   0.56750  1.0 1.0
   66    69   -82    59  -0.07550 -1.0 2.0
   66    69   -82    59   0.20000  1.0 3.0
   66    69    82    79   0.56750  1.0 1.0
   66    69    82    79  -0.07550 -1.0 2.0
   66    69    82    79   0.20000  1.0 3.0
   66    69    82    83   0.15000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   0.15000  1.0 3.0
   67    66    69    70  -0.11250  1.0 3.0
   67    66    69    82   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70  -0.11250  1.0 3.0
   68    66    69    82   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    70    76    77   0.00000  1.0 1.0
   69    70    76    78   0.00000  1.0 1.0
   69    70   -76    79   0.60050  1.0 1.0
   69    70   -76    79   0.05600 -1.0 2.0
   69    70   -76    79   0.26150  1.0 3.0
   70    69    82    59  -0.95700  1.0 1.0
   70    69    82    59  -0.18200 -1.0 2.0
   70    69    82    59   0.29450  1.0 3.0
   70    69   -82    79  -0.95700  1.0 1.0
   70    69   -82    79  -0.18200 -1.0 2.0
   70    69   -82    79   0.29450  1.0 3.0
   70    69    82    83  -0.11250  1.0 3.0
   70    69    72    73  -0.11250  1.0 3.0
   70    69    72    74  -0.11250  1.0 3.0
   70    69    72    75  -0.11250  1.0 3.0
   70    76    79    80  -0.11250  1.0 3.0
   70    76    79    81  -0.11250  1.0 3.0
   70    76   -79    82  -0.95700  1.0 1.0
   70    76   -79    82  -0.18200 -1.0 2.0
   70    76   -79    82   0.29450  1.0 3.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   0.00000  1.0 1.0
   71    70    76    79   0.30150 -1.0 2.0
   76    79    82    59   0.56750  1.0 1.0
   76    79    82    59  -0.07550 -1.0 2.0
   76    79    82    59   0.20000  1.0 3.0
   76    79   -82    69   0.56750  1.0 1.0
   76    79   -82    69  -0.07550 -1.0 2.0
   76    79   -82    69   0.20000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   80    79    82    59   0.15000  1.0 3.0
   80    79    82    69   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   81    79    82    59   0.15000  1.0 3.0
   81    79    82    69   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   82    59    61    62   0.30150 -1.0 2.0
   82    59   -61    63   0.60050  1.0 1.0
   82    59   -61    63   0.05600 -1.0 2.0
   82    59   -61    63   0.26150  1.0 3.0
   82    69    70    71   0.30150 -1.0 2.0
   82    69   -70    76   0.60050  1.0 1.0
   82    69   -70    76   0.05600 -1.0 2.0
   82    69   -70    76   0.26150  1.0 3.0
   82    69    72    73   0.15000  1.0 3.0
   82    69    72    74   0.15000  1.0 3.0
   82    69    72    75   0.15000  1.0 3.0
   72    69    70    71   0.30150 -1.0 2.0
   72    69    70    76   0.60050  1.0 1.0
   72    69    70    76   0.05600 -1.0 2.0
   72    69    70    76   0.26150  1.0 3.0
   72    69    82    59   0.56750  1.0 1.0
   72    69    82    59  -0.07550 -1.0 2.0
   72    69    82    59   0.20000  1.0 3.0
   72    69    82    79   0.56750  1.0 1.0
   72    69    82    79  -0.07550 -1.0 2.0
   72    69    82    79   0.20000  1.0 3.0
   72    69    82    83   0.15000  1.0 3.0
   44    40    42    43   7.00000 -1.0 2.0
   44    40    42    53   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   48    51    41    38  15.00000 -1.0 2.0
   49    41    48    50  10.50000 -1.0 2.0
   33    44    40    42  15.00000 -1.0 2.0
   53    43    42    40  15.00000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
   69    76    70    71  10.50000 -1.0 2.0
END
