* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    160    255     478
    1     0 S   NP   _N1_     1    28.65091    93.78236   -24.63005
    2     1 S   H    _HN1     2     1.02786   109.66007   -99.28387
    3     1 S   H    _H1_     3     1.02949    87.56607     9.36120
    4     1 S   H    _H2_     4     1.02828    20.45467   172.11387
    5     1 S   CT   _CA1     5     1.50113   125.19714   122.75117
    6     5 S   HC   _HA1     6     1.09572   105.19411    75.70831
    7     5 S   CO3  _C1_     7     1.53783   112.46892   -44.53281
    8     7 S   O2Z  _O11     8     1.26372   115.00357   -42.43531
    9     7 S   O2Z  _O12     9     1.26238   114.94159   136.69519
   10     5 S   CT   _CB1    10     1.53075   107.42090  -166.30247
   11    10 S   HC   HB11    11     1.09834   109.36782   -49.66633
   12    10 S   HC   HB12    12     1.09813   110.44879    66.93956
   13    10 S   CT   _CG1    13     1.52993   112.61251  -170.64060
   14    13 S   HC   HG11    14     1.09581   110.64341   -65.81992
   15    13 S   HC   HG12    15     1.09670   109.78221    53.42137
   16    13 S   C    _CD1    16     1.51795   112.19647   173.87907
   17    16 S   O    _OE1    17     1.22732   123.28039     7.48676
   18    16 S   N    _N2_    18     1.38650   111.69588  -172.65062
   19    18 S   H    _HN2    19     1.01580   118.92947     1.73246
   20    18 S   CT1  _CA2    20     1.46177   123.35153   177.39721
   21    20 S   HC   _HA2    21     1.09731   109.44723     2.60632
   22    20 S   C    _C2_    22     1.53552   108.39700  -112.98722
   23    22 S   O    _O2_    23     1.23059   122.30324  -146.02453
   24    20 S   CT   _CB2    32     1.53468   111.72244   124.76439
   25    24 S   HC   HB21    33     1.09414   109.26685    56.89516
   26    24 S   HC   HB22    34     1.09343   109.31339   175.84999
   27    22 S   N    _N3_    24     1.38327   113.64650    41.22712
   28    27 S   H    _HN3    25     1.01589   119.60464    -3.09977
   29    24 S   S    _SG2    35     1.82978   111.27316   -63.84652
   30    27 S   CT   _CA3    26     1.45288   123.20466   177.27035
   31    30 S   HC   HA31    27     1.09548   107.49400   -64.99742
   32    30 S   HC   HA32    28     1.09557   108.00277    51.44295
   33    29 S   CT   _C14    36     1.90241   102.83239  -174.93368
   34    30 S   CO3  _C3_    29     1.52964   114.07758   173.45132
   35    34 S   O2Z  _O31    30     1.26375   116.06574    -0.75899
   36    34 S   O2Z  _O32    31     1.26427   114.41410   179.30339
   37    33 S   CM   _C9_    37     1.51749   107.27356   -62.04499
   38    37 S   CM   _C10    38     1.34337   122.20679   -84.85958
   39    38 S   HC   _H12    39     1.08620   122.26804   179.38866
   40    37 S   CM   _C8_    67     1.44955   119.58470    97.59835
   41    40 S   HC   _H11    68     1.08827   115.83622  -164.84934
   42    38 S   CO4  _C11    40     1.48158   122.13558    -2.37446
   43    42 S   O    _O33    41     1.23043   117.51483   168.08279
   44    40 S   CM   _C7_    69     1.33980   125.50323    18.09841
   45    42 S   CT   _C12    42     1.53502   119.48986    -9.24416
   46    45 S   HC   _H3_    43     1.10029   102.41325    97.99484
   47    44 S   CO4  _C16    70     1.48154   117.97452     0.81229
   48    47 S   O    _O34    71     1.22393   122.70692   164.15755
   49    44 S   CT   _C5_    74     1.51813   125.01649   179.29003
   50    49 S   HC   _H7_    75     1.09830   108.17127   153.17533
   51    33 S   CT   _C13    44     1.60388   111.05326   178.81899
   52    33 S   CO4  _C15    72     1.53648   105.17574    59.03104
   53    52 S   O    _O35    73     1.22697   124.51461    63.11162
   54    49 S   CT   _C4_    76     1.53037   110.62128   -88.88820
   55    54 S   HC   _H4_    77     1.09587   111.43692    63.61944
   56    54 S   HC   _H5_    78     1.09546   111.28002   -56.82636
   57    54 S   HC   _H6_    79     1.09542   110.66797  -176.39435
   58    49 S   CT   _C6_    80     1.53361   113.97339    35.99435
   59    58 S   HC   _H8_    81     1.09518   112.09942   -69.11232
   60    58 S   HC   _H9_    82     1.09579   110.28914   171.41750
   61    58 S   HC   _H10    83     1.09566   111.04639    52.23176
   62    51 S   CT   _C17    45     1.56768   112.47661   -59.04891
   63    62 S   HC   _H13    46     1.09423   112.02518    21.64883
   64    62 S   HC   _H14    47     1.09835   109.40200   -94.21520
   65    51 S   CT   _C23    63     1.56198   107.96120  -176.98858
   66    65 S   HC   _H25    64     1.09384   112.63847   -68.64629
   67    65 S   HC   _H26    65     1.09120   112.62386   170.05019
   68    65 S   HC   _H27    66     1.09541   111.45596    51.92450
   69    62 S   CT   _C18    48     1.53030   115.39123   143.50490
   70    69 S   HC   _H15    49     1.09648   109.08625   156.97758
   71    69 S   HC   _H16    50     1.09693   109.40624   -87.40110
   72    69 S   CT   _C19    51     1.51931   112.63838    34.79820
   73    72 S   HC   _H17    52     1.09577   108.81773    60.65071
   74    72 S   HC   _H18    53     1.09772   108.99550   174.47487
   75    45 S   CT   _C20    54     1.57748   114.28135  -149.07906
   76    75 S   CT   _C21    55     1.55280   108.90417   -78.32860
   77    76 S   HC   _H19    56     1.09389   112.06955    61.18737
   78    76 S   HC   _H20    57     1.09559   111.42254   -59.47983
   79    76 S   HC   _H21    58     1.09648   111.11390  -179.17789
   80    75 S   CT   _C22    59     1.54398   114.29049    41.13654
   81    80 S   HC   _H22    60     1.09389   112.36465   -67.49132
   82    80 S   HC   _H23    61     1.09694   110.57912   173.71416
   83    80 S   HC   _H24    62     1.09186   112.47057    54.01365
  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  11   5   4   3
  23   2   1   1  15  11   4  11   3  10   4  14  23   7   8   3
  10   8  16   3   1   7   3   2   1   3   2   1   1  13   6   5
   5   2   1   1   8   5   4  11   4   3   8   7   3   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    52    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    51    62    65    40    47    52    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    46    51    62    63    64    69    75    65    66    67    68    40    41    44    47    48    52    53  
   35    36  
   36  
    0  
   38    39    42    43    45    51    62    65    40    41    44    47    52    53    49  
   39    42    43    45    46    51    75    40    41    44    52  
   42    43    45    40  
   41    44    47    48    52    49    50    54    58    42    51  
   44    47    49  
   43    45    46    51    62    72    75    76    80    65  
   45    46    51    75  
   47    48    52    53    49    50    54    55    56    57    58    59    60    61  
   46    51    62    63    64    69    72    73    74    75    76    77    78    79    80    81    82    83    65    66    67    68    52  
   51    62    72    75    76    80    65  
   48    52    53    49    50    54    58    51  
   52    53    49  
   50    54    55    56    57    58    59    60    61    52  
   54    55    56    57    58    59    60    61  
   62    63    64    69    70    71    72    75    76    80    65    66    67    68    52    53  
   53    62    65  
    0  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    64    69    70    71    72    73    74    75    65    66    67    68  
   64    69    70    71    72    65  
   69    70    71    72    65  
   66    67    68    69    75  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76    80  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    80  
   75    76    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    51   268.000  1.529
   33    52   317.000  1.522
   37    38   549.000  1.340
   37    40   380.000  1.444
   38    39   340.000  1.080
   38    42   320.000  1.462
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    75   268.000  1.529
   51    62   268.000  1.529
   51    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   268.000  1.529
   75    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    47   320.000  1.462
   44    49   317.000  1.510
   47    48   570.000  1.229
   47    52   250.000  1.523
   52    53   570.000  1.229
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    58   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    51    75.00000  111.63000
   29    33    52    75.00000  110.18000
   33    37    38    70.00000  124.00000
   33    37    40    70.00000  124.00000
   33    51    45    58.35000  112.70000
   33    51    62    58.35000  112.70000
   33    51    65    58.35000  112.70000
   33    52    47    65.00000  115.45000
   33    52    53    80.00000  120.40000
   37    38    39    35.00000  120.00000
   37    38    42    65.00000  118.96000
   37    40    41    35.00000  120.00000
   37    40    44    70.00000  123.01800
   38    42    43    80.00000  123.72100
   38    42    45    65.00000  118.62400
   42    38    39    40.00000  117.72500
   42    45    46    35.00000  109.50000
   42    45    51    63.00000  111.10000
   42    45    75    63.00000  111.10000
   45    42    43    80.00000  120.40000
   45    51    62    58.35000  112.70000
   45    51    65    58.35000  112.70000
   45    75    72    58.35000  112.70000
   45    75    76    58.35000  112.70000
   45    75    80    58.35000  112.70000
   51    33    37    70.00000  112.02700
   51    45    46    37.50000  110.70000
   51    62    63    37.50000  110.70000
   51    62    64    37.50000  110.70000
   51    62    69    58.35000  112.70000
   51    65    66    37.50000  110.70000
   51    65    67    37.50000  110.70000
   51    65    68    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    58.35000  112.70000
   64    62    63    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    64    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    58.35000  112.70000
   72    75    80    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    45    46    37.50000  110.70000
   75    45    51    58.35000  112.70000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    76    77    37.50000  110.70000
   75    76    78    37.50000  110.70000
   75    76    79    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   65    51    62    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   40    37    38    70.00000  123.01800
   40    44    47    65.00000  118.96000
   40    44    49    70.00000  124.00000
   44    40    41    35.00000  120.00000
   44    47    48    80.00000  123.72100
   44    47    52    65.00000  116.00000
   44    49    50    35.00000  109.50000
   44    49    54    70.00000  112.02700
   44    49    58    70.00000  112.02700
   47    52    53    80.00000  119.30300
   52    33    37    70.00000  109.06800
   52    33    51    63.00000  111.10000
   52    47    48    80.00000  119.30300
   49    44    47    65.00000  116.34900
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    61    37.50000  110.70000
   54    49    50    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    45   0.44750  1.0 1.0
   29    33    51    45  -0.17800 -1.0 2.0
   29    33    51    45   0.20200  1.0 3.0
   29    33    51    62   0.44750  1.0 1.0
   29    33    51    62  -0.17800 -1.0 2.0
   29    33    51    62   0.20200  1.0 3.0
   29    33    51    65   0.44750  1.0 1.0
   29    33    51    65  -0.17800 -1.0 2.0
   29    33    51    65   0.20200  1.0 3.0
   29    33    52    47   0.65300  1.0 1.0
   29    33    52    47  -0.03850 -1.0 2.0
   29    33    52    47   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41   0.00000  1.0 1.0
   33    37    40    44  -0.18600  1.0 3.0
   33    51    62    63   0.15000  1.0 3.0
   33    51    62    64   0.15000  1.0 3.0
   33    51    62    69   0.56750  1.0 1.0
   33    51    62    69  -0.07550 -1.0 2.0
   33    51    62    69   0.20000  1.0 3.0
   33    51    65    66   0.15000  1.0 3.0
   33    51    65    67   0.15000  1.0 3.0
   33    51    65    68   0.15000  1.0 3.0
   37    33    51    45   0.34400  1.0 1.0
   37    33    51    45   0.09450 -1.0 2.0
   37    33    51    45   0.11100  1.0 3.0
   37    33    51    62   0.34400  1.0 1.0
   37    33    51    62   0.09450 -1.0 2.0
   37    33    51    62   0.11100  1.0 3.0
   37    33    51    65   0.34400  1.0 1.0
   37    33    51    65   0.09450 -1.0 2.0
   37    33    51    65   0.11100  1.0 3.0
   37    33    52    47   0.65300  1.0 1.0
   37    33    52    47  -0.03850 -1.0 2.0
   37    33    52    47   0.33900  1.0 3.0
   37    33    52    53   0.30150 -1.0 2.0
   37    38    42    43   1.00000 -1.0 2.0
   37    38   -42    45  -0.33500  1.0 1.0
   37    38   -42    45   1.06600 -1.0 2.0
   37    38   -42    45  -0.14000  1.0 3.0
   37    40   -44    47   7.00000 -1.0 2.0
   37    40    44    49   7.00000 -1.0 2.0
   38    37    40    41  -0.18600  1.0 3.0
   38    37    40    44   0.28850  1.0 1.0
   38    37    40    44   2.61350 -1.0 2.0
   38    37    40    44   0.78400  1.0 3.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    51   0.65300  1.0 1.0
   38    42    45    51  -0.03850 -1.0 2.0
   38    42    45    51   0.33900  1.0 3.0
   38    42    45    75   0.65300  1.0 1.0
   38    42    45    75  -0.03850 -1.0 2.0
   38    42    45    75   0.33900  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    45   0.04550  1.0 1.0
   39    38    42    45   0.83000 -1.0 2.0
   39    38    42    45  -0.04000  1.0 3.0
   42    45   -51    33  -0.95700  1.0 1.0
   42    45   -51    33  -0.18200 -1.0 2.0
   42    45   -51    33   0.29450  1.0 3.0
   42    45    51    62  -0.95700  1.0 1.0
   42    45    51    62  -0.18200 -1.0 2.0
   42    45    51    62   0.29450  1.0 3.0
   42    45    51    65  -0.95700  1.0 1.0
   42    45    51    65  -0.18200 -1.0 2.0
   42    45    51    65   0.29450  1.0 3.0
   42    45    75    72  -0.95700  1.0 1.0
   42    45    75    72  -0.18200 -1.0 2.0
   42    45    75    72   0.29450  1.0 3.0
   42    45    75    76  -0.95700  1.0 1.0
   42    45    75    76  -0.18200 -1.0 2.0
   42    45    75    76   0.29450  1.0 3.0
   42    45    75    80  -0.95700  1.0 1.0
   42    45    75    80  -0.18200 -1.0 2.0
   42    45    75    80   0.29450  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    51   0.30150 -1.0 2.0
   43    42    45    75   0.30150 -1.0 2.0
   45    51    62    63   0.15000  1.0 3.0
   45    51    62    64   0.15000  1.0 3.0
   45    51    62    69   0.56750  1.0 1.0
   45    51    62    69  -0.07550 -1.0 2.0
   45    51    62    69   0.20000  1.0 3.0
   45    51    65    66   0.15000  1.0 3.0
   45    51    65    67   0.15000  1.0 3.0
   45    51    65    68   0.15000  1.0 3.0
   45    75    76    77   0.15000  1.0 3.0
   45    75    76    78   0.15000  1.0 3.0
   45    75    76    79   0.15000  1.0 3.0
   45    75    80    81   0.15000  1.0 3.0
   45    75    80    82   0.15000  1.0 3.0
   45    75    80    83   0.15000  1.0 3.0
   46    45    51    33   0.15000  1.0 3.0
   46    45    51    62   0.15000  1.0 3.0
   46    45    51    65   0.15000  1.0 3.0
   46    45    75    72   0.15000  1.0 3.0
   46    45    75    76   0.15000  1.0 3.0
   46    45    75    80   0.15000  1.0 3.0
   51    33   -37    38   0.09850  1.0 1.0
   51    33   -37    38   0.15250 -1.0 2.0
   51    33   -37    38  -0.50650  1.0 3.0
   51    33    37    40   0.98200  1.0 1.0
   51    33    37    40  -0.11900 -1.0 2.0
   51    33    37    40   0.24250  1.0 3.0
   51    33    52    47   0.65300  1.0 1.0
   51    33    52    47  -0.03850 -1.0 2.0
   51    33    52    47   0.33900  1.0 3.0
   51    33    52    53   0.30150 -1.0 2.0
   51    45    75    72   0.56750  1.0 1.0
   51    45    75    72  -0.07550 -1.0 2.0
   51    45    75    72   0.20000  1.0 3.0
   51    45    75    76   0.56750  1.0 1.0
   51    45    75    76  -0.07550 -1.0 2.0
   51    45    75    76   0.20000  1.0 3.0
   51    45    75    80   0.56750  1.0 1.0
   51    45    75    80  -0.07550 -1.0 2.0
   51    45    75    80   0.20000  1.0 3.0
   51    62    69    70   0.15000  1.0 3.0
   51    62    69    71   0.15000  1.0 3.0
   51    62   -69    72   0.56750  1.0 1.0
   51    62   -69    72  -0.07550 -1.0 2.0
   51    62   -69    72   0.20000  1.0 3.0
   62    51    65    66   0.15000  1.0 3.0
   62    51    65    67   0.15000  1.0 3.0
   62    51    65    68   0.15000  1.0 3.0
   62    69    72    73   0.15000  1.0 3.0
   62    69    72    74   0.15000  1.0 3.0
   62    69    72    75   0.56750  1.0 1.0
   62    69    72    75  -0.07550 -1.0 2.0
   62    69    72    75   0.20000  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    72   0.15000  1.0 3.0
   64    62    69    70   0.15000  1.0 3.0
   64    62    69    71   0.15000  1.0 3.0
   64    62    69    72   0.15000  1.0 3.0
   69    72   -75    45   0.56750  1.0 1.0
   69    72   -75    45  -0.07550 -1.0 2.0
   69    72   -75    45   0.20000  1.0 3.0
   69    72    75    76   0.56750  1.0 1.0
   69    72    75    76  -0.07550 -1.0 2.0
   69    72    75    76   0.20000  1.0 3.0
   69    72    75    80   0.56750  1.0 1.0
   69    72    75    80  -0.07550 -1.0 2.0
   69    72    75    80   0.20000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    76    77   0.15000  1.0 3.0
   72    75    76    78   0.15000  1.0 3.0
   72    75    76    79   0.15000  1.0 3.0
   72    75    80    81   0.15000  1.0 3.0
   72    75    80    82   0.15000  1.0 3.0
   72    75    80    83   0.15000  1.0 3.0
   73    72    75    45   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    80   0.15000  1.0 3.0
   74    72    75    45   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    80   0.15000  1.0 3.0
   75    45    51    33   0.56750  1.0 1.0
   75    45    51    33  -0.07550 -1.0 2.0
   75    45    51    33   0.20000  1.0 3.0
   75    45   -51    62   0.56750  1.0 1.0
   75    45   -51    62  -0.07550 -1.0 2.0
   75    45   -51    62   0.20000  1.0 3.0
   75    45    51    65   0.56750  1.0 1.0
   75    45    51    65  -0.07550 -1.0 2.0
   75    45    51    65   0.20000  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   80    75    76    77   0.15000  1.0 3.0
   80    75    76    78   0.15000  1.0 3.0
   80    75    76    79   0.15000  1.0 3.0
   65    51    62    63   0.15000  1.0 3.0
   65    51    62    64   0.15000  1.0 3.0
   65    51    62    69   0.56750  1.0 1.0
   65    51    62    69  -0.07550 -1.0 2.0
   65    51    62    69   0.20000  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    44    47    48   1.00000 -1.0 2.0
   40    44    47    52   0.50400  1.0 1.0
   40    44    47    52   1.60000 -1.0 2.0
   40    44    47    52  -0.01800  1.0 3.0
   40    44    49    50   0.00000  1.0 1.0
   40    44    49    54   0.09850  1.0 1.0
   40    44    49    54   0.15250 -1.0 2.0
   40    44    49    54  -0.50650  1.0 3.0
   40    44    49    58   0.09850  1.0 1.0
   40    44    49    58   0.15250 -1.0 2.0
   40    44    49    58  -0.50650  1.0 3.0
   41    40    44    47   7.00000 -1.0 2.0
   41    40    44    49   7.00000 -1.0 2.0
   44    47   -52    33   0.43900  1.0 1.0
   44    47   -52    33  -0.18150 -1.0 2.0
   44    47   -52    33  -0.03650  1.0 3.0
   44    47    52    53   0.03000  1.0 1.0
   44    47    52    53   0.58800 -1.0 2.0
   44    47    52    53   0.15550  1.0 3.0
   44    49    54    55   0.15000  1.0 3.0
   44    49    54    56   0.15000  1.0 3.0
   44    49    54    57   0.15000  1.0 3.0
   44    49    58    59   0.15000  1.0 3.0
   44    49    58    60   0.15000  1.0 3.0
   44    49    58    61   0.15000  1.0 3.0
   47    44    49    50   0.15000  1.0 3.0
   47    44    49    54   0.09700  1.0 1.0
   47    44    49    54   0.15600 -1.0 2.0
   47    44    49    54  -0.50800  1.0 3.0
   47    44    49    58   0.09700  1.0 1.0
   47    44    49    58   0.15600 -1.0 2.0
   47    44    49    58  -0.50800  1.0 3.0
   48    47    52    33   0.49600 -1.0 2.0
   48    47    52    53   0.06100 -1.0 2.0
   52    33    37    38  -0.51250  1.0 1.0
   52    33    37    38  -0.88800 -1.0 2.0
   52    33    37    38   0.08850  1.0 3.0
   52    33   -37    40  -0.51250  1.0 1.0
   52    33   -37    40  -0.88800 -1.0 2.0
   52    33   -37    40   0.08850  1.0 3.0
   52    33    51    45  -0.95700  1.0 1.0
   52    33    51    45  -0.18200 -1.0 2.0
   52    33    51    45   0.29450  1.0 3.0
   52    33    51    62  -0.95700  1.0 1.0
   52    33    51    62  -0.18200 -1.0 2.0
   52    33    51    62   0.29450  1.0 3.0
   52    33    51    65  -0.95700  1.0 1.0
   52    33    51    65  -0.18200 -1.0 2.0
   52    33    51    65   0.29450  1.0 3.0
   49    44    47    48  -0.64400  1.0 1.0
   49    44    47    48   0.26850 -1.0 2.0
   49    44    47    52   1.50000 -1.0 2.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    61   0.15000  1.0 3.0
   54    49    58    59   0.15000  1.0 3.0
   54    49    58    60   0.15000  1.0 3.0
   54    49    58    61   0.15000  1.0 3.0
   58    49    54    55   0.15000  1.0 3.0
   58    49    54    56   0.15000  1.0 3.0
   58    49    54    57   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   38    45    42    43  10.50000 -1.0 2.0
   37    41    40    44   1.10000 -1.0 2.0
   47    49    44    40   1.10000 -1.0 2.0
   44    52    47    48  10.50000 -1.0 2.0
   33    47    52    53  10.50000 -1.0 2.0
END
