* LIGAND DATABASE FILE (OPLS2005)
*
001      91    90    162    240     479
    1     0 S   NP   _N1_     1    28.96382    95.26008   -19.19406
    2     1 S   H    _HN1     2     1.02826    38.66548   137.11435
    3     1 S   H    _H1_     3     1.02774    82.72633   -91.95046
    4     1 S   H    _H2_     4     1.02943    88.50338    16.78777
    5     1 S   CT   _CA1     5     1.50165   149.11592   146.27036
    6     5 S   HC   _HA1     6     1.09564   105.20476    53.35256
    7     5 S   CO3  _C1_     7     1.53834   112.07889   -66.94089
    8     7 S   O2Z  _O11     8     1.26404   114.96503   -46.46071
    9     7 S   O2Z  _O12     9     1.26197   115.03215   132.23115
   10     5 S   CT   _CB1    10     1.53074   107.37510   171.42989
   11    10 S   HC   HB11    11     1.09827   109.62169   -46.92271
   12    10 S   HC   HB12    12     1.09813   110.46989    69.82841
   13    10 S   CT   _CG1    13     1.52956   112.43468  -167.74235
   14    13 S   HC   HG11    14     1.09553   110.59599   -60.86475
   15    13 S   HC   HG12    15     1.09548   109.69070    58.20311
   16    13 S   C    _CD1    16     1.51845   112.19902   178.36410
   17    16 S   O    _OE1    17     1.22771   123.14314    -1.48306
   18    16 S   N    _N2_    18     1.38481   111.78978   178.39039
   19    18 S   H    _HN2    19     1.01999   118.88332     1.79362
   20    18 S   CT1  _CA2    20     1.46142   123.65838  -178.50957
   21    20 S   HC   _HA2    21     1.09746   109.16606   -14.85012
   22    20 S   C    _C2_    22     1.53499   109.32950  -130.40278
   23    22 S   O    _O2_    23     1.23081   122.09201  -151.49675
   24    20 S   CT   _CB2    32     1.53395   110.94655   107.04087
   25    24 S   HC   HB21    33     1.09477   109.50814    51.09986
   26    24 S   HC   HB22    34     1.09470   111.08230   169.91978
   27    22 S   N    _N3_    24     1.38413   113.73796    36.60985
   28    27 S   H    _HN3    25     1.01565   119.03046    -4.27127
   29    24 S   S    _SG2    35     1.82942   111.55408   -71.04883
   30    27 S   CT   _CA3    26     1.45401   123.23486   174.44691
   31    30 S   HC   HA31    27     1.09529   108.79402    31.56404
   32    30 S   HC   HA32    28     1.09475   107.26767   148.49055
   33    29 S   CT   _C10    36     1.84055   100.14453   138.12439
   34    33 S   HC   _H4_    37     1.09561   106.83994   -49.63071
   35    30 S   CO3  _C3_    29     1.52957   113.61714   -91.50148
   36    35 S   O2Z  _O31    30     1.26380   115.74994   -39.23278
   37    35 S   O2Z  _O32    31     1.26437   114.82215   141.72918
   38    33 S   CM   _C11    38     1.51006   109.00302    68.63047
   39    38 S   HC   _H17    39     1.08830   117.44421    51.94260
   40    33 S   CT   _C9_    72     1.54863   112.17767  -167.99833
   41    40 S   HC   _H3_    73     1.09744   108.30952  -178.40259
   42    38 S   CM   _C12    40     1.34270   123.46580  -128.37407
   43    42 S   HC   _H18    41     1.08771   119.38345    -0.83416
   44    40 S   CT   _C8_    74     1.54018   115.62759    59.65716
   45    44 S   HC   _H15    75     1.09741   109.78106   -70.83126
   46    44 S   HC   _H16    76     1.09860   108.20714   175.89568
   47    40 S   OH   _O36    90     1.43344   109.99007   -62.97685
   48    47 S   HO   _H34    91     0.97232   107.58167  -176.64316
   49    42 S   CT   _C13    42     1.50240   123.76971   178.80613
   50    49 S   HC   _H5_    43     1.09685   110.85430    -1.14278
   51    44 S   CT   _C7_    77     1.53039   116.24053    53.26772
   52    51 S   HC   _H13    78     1.09714   107.95241   179.62361
   53    51 S   HC   _H14    79     1.09524   110.07538   -64.94626
   54    49 S   CT   _C14    44     1.53622   112.53018  -124.85944
   55    54 S   HC   _H19    45     1.09584   109.92014   -62.54609
   56    54 S   HC   _H20    46     1.09829   108.79924  -175.99005
   57    49 S   OH   _O35    70     1.42772   107.17867   115.78741
   58    57 S   HO   _H33    71     0.97231   107.47037  -176.79246
   59    51 S   CT   _C6_    80     1.52944   113.51490    58.59432
   60    59 S   HC   _H11    81     1.09569   110.12866   -62.86661
   61    59 S   HC   _H12    82     1.09663   109.62271    54.88668
   62    54 S   CM   _C15    47     1.50210   113.34912    63.96041
   63    62 S   HC   _H21    48     1.08889   115.43464    69.79376
   64    59 S   CT   _C5_    83     1.52895   111.12788   176.18033
   65    64 S   HC   _H9_    84     1.09586   109.80629   -60.24123
   66    64 S   HC   _H10    85     1.09630   109.88562    57.56264
   67    62 S   CM   _C16    49     1.34261   127.28877  -110.85359
   68    67 S   HC   _H22    50     1.08961   117.11696  -179.77445
   69    64 S   CT   _C4_    86     1.52014   111.52424   178.75228
   70    69 S   HC   _H6_    87     1.09469   110.99984   -60.44092
   71    69 S   HC   _H7_    88     1.09449   110.24863   179.83214
   72    69 S   HC   _H8_    89     1.09466   110.99918    60.08294
   73    67 S   CT   _C17    51     1.50191   127.56343     2.04756
   74    73 S   HC   _H23    52     1.09383   108.11019   121.35495
   75    73 S   HC   _H24    53     1.09406   111.94151     5.83506
   76    73 S   CM   _C18    54     1.50116   111.44080  -115.26089
   77    76 S   HC   _H25    55     1.08924   115.51402    64.03695
   78    76 S   CM   _C19    56     1.34238   127.32586  -117.79291
   79    78 S   HC   _H26    57     1.08878   117.35362  -178.50747
   80    78 S   CT   _C20    58     1.50192   127.30112     1.80948
   81    80 S   HC   _H27    59     1.09704   108.10357   134.93711
   82    80 S   HC   _H28    60     1.09291   111.39733    19.08041
   83    80 S   CT   _C21    61     1.53102   111.02381  -104.71317
   84    83 S   HC   _H29    62     1.09717   110.06837    57.72706
   85    83 S   HC   _H30    63     1.09771   109.12035   -58.88103
   86    83 S   CT   _C22    64     1.52595   112.40204  -179.17647
   87    86 S   HC   _H31    65     1.09754   108.25331   168.23630
   88    86 S   HC   _H32    66     1.09713   109.52943    52.15835
   89    86 S   CO3  _C23    67     1.53113   116.99521   -71.99574
   90    89 S   O2Z  _O34    68     1.26195   116.72437   -13.66433
   91    89 S   O2Z  _O33    69     1.26493   114.21660   166.62782
  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   9   5   4   3
  14   7   2   1   1  11   4  11   6   9   4  11   6   5   2   1
   9   6   9   5   4   9   5   4   2   1   9   5   4   7   3   6
   5   4   7   4   3   2   1   1   7   4   3   7   3   8   4   9
   5   4   8   5   4   5   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    42    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    40    41    44    45    46    51    47    48  
   38    39    42    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    49    50    54    57    40    41    44    47  
   42    43    49    40  
   41    44    45    46    51    52    53    59    47    48    42  
   44    45    46    51    47    48  
   43    49    50    54    55    56    62    57    58  
   49    50    54    57  
   45    46    51    52    53    59    60    61    64    47    48  
   46    51    52    53    59    47  
   51    52    53    59    47  
   48    51  
    0  
   50    54    55    56    62    63    67    57    58  
   54    55    56    62    57    58  
   52    53    59    60    61    64    65    66    69  
   53    59    60    61    64  
   59    60    61    64  
   55    56    62    63    67    68    73    57    58  
   56    62    63    67    57  
   62    63    67    57  
   58    62  
    0  
   60    61    64    65    66    69    70    71    72  
   61    64    65    66    69  
   64    65    66    69  
   63    67    68    73    74    75    76  
   67    68    73  
   65    66    69    70    71    72  
   66    69    70    71    72  
   69    70    71    72  
   68    73    74    75    76    77    78  
   73    74    75    76  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77    78  
   76    77    78  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80    81    82    83    84    85    86  
   80    81    82    83  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.205000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    49   317.000  1.510
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    57   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   317.000  1.510
   62    63   340.000  1.080
   62    67   549.000  1.340
   67    68   340.000  1.080
   67    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.510
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   340.000  1.080
   78    80   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   317.000  1.522
   89    90   656.000  1.250
   89    91   656.000  1.250
   57    58   553.000  0.945
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    49    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    49    50    35.00000  109.50000
   42    49    54    70.00000  112.02700
   42    49    57    90.00000  110.39200
   49    42    43    35.00000  117.00000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    62    70.00000  112.02700
   49    57    58    55.00000  108.50000
   54    49    50    37.50000  110.70000
   54    62    63    35.00000  117.00000
   54    62    67    70.00000  124.00000
   56    54    55    33.00000  107.80000
   62    54    55    35.00000  109.50000
   62    54    56    35.00000  109.50000
   62    67    68    35.00000  120.00000
   62    67    73    70.00000  124.00000
   67    62    63    35.00000  120.00000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    70.00000  110.12100
   73    67    68    35.00000  117.00000
   73    76    77    35.00000  117.00000
   73    76    78    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    78    79    35.00000  120.00000
   76    78    80    70.00000  124.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    70.00000  112.02700
   80    78    79    35.00000  117.00000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    70.00000  109.69300
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    70.00000  117.00000
   86    89    91    70.00000  117.00000
   88    86    87    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  109.50000
   91    89    90    80.00000  126.00000
   57    49    50    35.00000  109.50000
   57    49    54    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    51    58.35000  112.70000
   40    47    48    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    59    58.35000  112.70000
   46    44    45    33.00000  107.80000
   51    44    45    37.50000  110.70000
   51    44    46    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    64    58.35000  112.70000
   53    51    52    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    53    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    69    58.35000  112.70000
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    37.50000  110.70000
   66    64    65    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    49   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    51   0.56750  1.0 1.0
   33    40    44    51  -0.07550 -1.0 2.0
   33    40    44    51   0.20000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    47   1.05650  1.0 1.0
   38    33    40    47   0.15600 -1.0 2.0
   38    33    40    47   0.53150  1.0 3.0
   38    42    49    50   0.00000  1.0 1.0
   38    42    49    54   0.09850  1.0 1.0
   38    42    49    54   0.15250 -1.0 2.0
   38    42    49    54  -0.50650  1.0 3.0
   38    42    49    57   0.67800  1.0 1.0
   38    42    49    57   0.47050 -1.0 2.0
   38    42    49    57  -0.62500  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    49   7.00000 -1.0 2.0
   42    49    54    55   0.15000  1.0 3.0
   42    49    54    56   0.15000  1.0 3.0
   42    49    54    62   0.31000  1.0 1.0
   42    49    54    62   0.14700 -1.0 2.0
   42    49    54    62   0.07550  1.0 3.0
   42    49    57    58  -0.07800  1.0 1.0
   42    49    57    58  -0.21500 -1.0 2.0
   42    49    57    58  -0.03150  1.0 3.0
   43    42    49    50   0.33100  1.0 3.0
   43    42    49    54   0.00000  1.0 1.0
   43    42    49    57   0.00000  1.0 1.0
   49    54    62    63   0.00000  1.0 1.0
   49    54    62    67   0.09850  1.0 1.0
   49    54    62    67   0.15250 -1.0 2.0
   49    54    62    67  -0.50650  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    62   0.15000  1.0 3.0
   50    49    57    58   0.19450  1.0 3.0
   54    49    57    58  -0.11600  1.0 1.0
   54    49    57    58  -0.09450 -1.0 2.0
   54    49    57    58   0.21250  1.0 3.0
   54    62    67    68   7.00000 -1.0 2.0
   54    62    67    73   7.00000 -1.0 2.0
   55    54    62    63   0.33100  1.0 3.0
   55    54    62    67   0.00000  1.0 1.0
   56    54    62    63   0.33100  1.0 3.0
   56    54    62    67   0.00000  1.0 1.0
   62    67    73    74   0.00000  1.0 1.0
   62    67    73    75   0.00000  1.0 1.0
   62    67    73    76  -0.28300  1.0 1.0
   62    67    73    76   0.26700 -1.0 2.0
   62    67    73    76  -0.63300  1.0 3.0
   63    62    67    68   7.00000 -1.0 2.0
   63    62    67    73   7.00000 -1.0 2.0
   67    73    76    77   0.00000  1.0 1.0
   67    73    76    78  -0.28300  1.0 1.0
   67    73    76    78   0.26700 -1.0 2.0
   67    73    76    78  -0.63300  1.0 3.0
   68    67    73    74   0.33100  1.0 3.0
   68    67    73    75   0.33100  1.0 3.0
   68    67    73    76   0.00000  1.0 1.0
   73    76    78    79   7.00000 -1.0 2.0
   73    76    78    80   7.00000 -1.0 2.0
   74    73    76    77   0.33100  1.0 3.0
   74    73    76    78   0.00000  1.0 1.0
   75    73    76    77   0.33100  1.0 3.0
   75    73    76    78   0.00000  1.0 1.0
   76    78    80    81   0.00000  1.0 1.0
   76    78    80    82   0.00000  1.0 1.0
   76    78    80    83   0.09850  1.0 1.0
   76    78    80    83   0.15250 -1.0 2.0
   76    78    80    83  -0.50650  1.0 3.0
   77    76    78    79   7.00000 -1.0 2.0
   77    76    78    80   7.00000 -1.0 2.0
   78    80    83    84   0.15000  1.0 3.0
   78    80    83    85   0.15000  1.0 3.0
   78    80    83    86   0.34400  1.0 1.0
   78    80    83    86   0.09450 -1.0 2.0
   78    80    83    86   0.11100  1.0 3.0
   79    78    80    81   0.33100  1.0 3.0
   79    78    80    82   0.33100  1.0 3.0
   79    78    80    83   0.00000  1.0 1.0
   80    83    86    87   0.15000  1.0 3.0
   80    83    86    88   0.15000  1.0 3.0
   80    83    86    89  -1.63150  1.0 1.0
   80    83    86    89  -0.43550 -1.0 2.0
   80    83    86    89   0.24500  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   83    86    89    90   0.41150 -1.0 2.0
   83    86    89    91   0.41150 -1.0 2.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89  -0.11250  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89  -0.11250  1.0 3.0
   87    86    89    90   0.00000  1.0 1.0
   87    86    89    91   0.00000  1.0 1.0
   88    86    89    90   0.00000  1.0 1.0
   88    86    89    91   0.00000  1.0 1.0
   57    49    54    55   0.23400  1.0 3.0
   57    49    54    56   0.23400  1.0 3.0
   57    49    54    62   1.05650  1.0 1.0
   57    49    54    62   0.15600 -1.0 2.0
   57    49    54    62   0.53150  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    59   0.56750  1.0 1.0
   40    44    51    59  -0.07550 -1.0 2.0
   40    44    51    59   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    47    48   0.19450  1.0 3.0
   44    40    47    48  -0.11600  1.0 1.0
   44    40    47    48  -0.09450 -1.0 2.0
   44    40    47    48   0.21250  1.0 3.0
   44    51    59    60   0.15000  1.0 3.0
   44    51    59    61   0.15000  1.0 3.0
   44    51    59    64   0.56750  1.0 1.0
   44    51    59    64  -0.07550 -1.0 2.0
   44    51    59    64   0.20000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    59   0.15000  1.0 3.0
   46    44    51    52   0.15000  1.0 3.0
   46    44    51    53   0.15000  1.0 3.0
   46    44    51    59   0.15000  1.0 3.0
   51    59    64    65   0.15000  1.0 3.0
   51    59    64    66   0.15000  1.0 3.0
   51    59    64    69   0.56750  1.0 1.0
   51    59    64    69  -0.07550 -1.0 2.0
   51    59    64    69   0.20000  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    64   0.15000  1.0 3.0
   53    51    59    60   0.15000  1.0 3.0
   53    51    59    61   0.15000  1.0 3.0
   53    51    59    64   0.15000  1.0 3.0
   59    64    69    70   0.15000  1.0 3.0
   59    64    69    71   0.15000  1.0 3.0
   59    64    69    72   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    69   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    69   0.15000  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.15000  1.0 3.0
   66    64    69    72   0.15000  1.0 3.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    51   0.86500  1.0 1.0
   47    40    44    51  -0.17500 -1.0 2.0
   47    40    44    51   0.20800  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
   33    39    38    42  15.00000 -1.0 2.0
   49    43    42    38  15.00000 -1.0 2.0
   54    63    62    67  15.00000 -1.0 2.0
   73    68    67    62  15.00000 -1.0 2.0
   73    77    76    78  15.00000 -1.0 2.0
   80    79    78    76  15.00000 -1.0 2.0
   90    86    89    91  10.50000 -1.0 2.0
END
