* LIGAND DATABASE FILE (OPLS2005)
*
001      80    84    155    257     437
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02120    66.48644  -101.52310
    3     1 S   H    _H1_     3     1.02108   105.11111     2.56765
    4     1 S   H    _H2_     4     1.02084    46.23647   104.20540
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08732   110.31229    59.07285
   26    24 S   HC   HB22    34     1.08792   109.70331   178.83299
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   C3T  _C21    36     1.74019   100.69849   -78.18346
   34    33 S   HC   _H3_    37     1.08437   113.00792    56.16560
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   C3T  _C16    38     1.50112   120.47522  -159.99678
   39    38 S   HC   _H35    39     1.08305   117.55609     1.39016
   40    38 S   HC   _H36    40     1.08359   119.40772  -143.56997
   41    33 S   C3T  _C19    41     1.50014   120.44526   -89.07784
   42    41 S   HC   _H41    42     1.08425   118.63304    -3.88262
   43    41 S   NE   _N20    43     1.48239   121.03851   139.53222
   44    43 S   CA   _C6_    44     1.42493   126.46883   154.10174
   45    44 S   CA   _C5_    45     1.41107   119.50543  -179.97202
   46    45 S   CA   _C4_    46     1.40054   121.11428  -179.98022
   47    46 S   HA   _H29    47     1.08668   121.37471   179.97202
   48    45 S   CO4  _C11    72     1.48721   119.82272    -0.04423
   49    48 S   O    _O23    73     1.22425   121.39412   179.98022
   50    46 S   CA   _C8_    48     1.39234   119.77695    -0.01978
   51    50 S   F    _F26    49     1.34139   119.32873   179.97202
   52    48 S   CM   _C12    74     1.48506   117.20249    -0.02798
   53    50 S   CA   _C7_    50     1.39175   119.99463     0.03426
   54    43 S   CM   _C10    75     1.38145   113.98082   -25.92584
   55    54 S   HC   _H30    76     1.08661   114.65970    -0.04846
   56    52 S   C    _C13    77     1.46424   123.32359  -180.00000
   57    56 S   O    _O24    78     1.21799   124.54351   150.02280
   58    44 S   CA   _C9_    51     1.40425   122.57895    -0.01978
   59    58 S   Cl   CL28    52     1.74509   125.49243     0.00000
   60    53 S   NE   _N21    53     1.38044   117.37710  -179.96574
   61    56 S   OH   _O25    79     1.34969   109.65655   -29.98627
   62    61 S   HO   _H46    80     0.98074   112.00017   179.97202
   63    60 S   CT   _C17    54     1.46435   124.00377    89.92616
   64    63 S   HC   _H37    55     1.10028   111.91927    46.61469
   65    63 S   HC   _H38    56     1.10129   109.56552   -72.57971
   66    63 S   CT   _C20    57     1.53766   104.62853   169.97911
   67    66 S   HC   _H42    58     1.10010   110.38323   147.74115
   68    66 S   C3T  _C22    59     1.50657   102.87415    26.60952
   69    66 S   NT   _N22    69     1.46237   110.05747   -91.78098
   70    69 S   H    _H44    70     0.99641   117.96573   -37.87612
   71    69 S   H    _H45    71     0.99556   117.96748   155.38695
   72    68 S   C3T  _C14    60     1.51286   119.17299   114.05617
   73    72 S   HC   _H31    61     1.08469   118.66244     5.46447
   74    72 S   HC   _H32    62     1.08321   118.87758  -140.38780
   75    60 S   CT   _C18    66     1.46435   123.29087   -81.09123
   76    75 S   HC   _H39    67     1.09977   111.82437    52.92714
   77    75 S   HC   _H40    68     1.09840   109.19278   -67.38612
   78    68 S   C3T  _C15    63     1.51103   122.42053  -175.56385
   79    78 S   HC   _H33    64     1.08331   118.25706   145.30867
   80    78 S   HC   _H34    65     1.08353   118.89039    -0.34264
  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
   9   6   2   1   1   7   4   3   8   3  11  13  12   9   4   9
   3   7   3   6  11   5   1   3   2   4   1  12   1   1  13   6
   5  14   7  12   5   1   1   8   5   4   5   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    54  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43    44    54  
   40    41    42    43  
   41    42    43  
   42    43    44    45    58    52    54    55  
   43    44    54  
   44    45    46    53    58    59    48    52    54    55    56  
   45    46    47    50    53    58    59    60    48    49    52    54    55  
   46    47    50    51    53    58    59    48    49    52    54    56  
   47    50    51    53    58    60    48    49    52  
   50    51    53    48  
   49    52    54    55    56    57    61    50    58  
   52    54    56  
   51    53    58    59    60    63    75  
   53    58    60  
   54    55    56    57    61    62  
   58    59    60    63    64    65    66    68    75    76    77  
   55    56    57    61    58  
   56  
   57    61    62  
   61    62  
   59    60    63    75  
   60  
   63    64    65    66    67    68    72    78    75    76    77    69  
   62  
    0  
   64    65    66    67    68    72    78    75    76    77    69    70    71  
   65    66    67    68    75    69  
   66    67    68    75    69  
   67    68    72    73    74    78    79    80    75    76    77    69    70    71  
   68    72    78    75    69    70    71  
   72    73    74    78    79    80    75    76    77    69    70    71  
   70    71    72    75    78  
   71  
    0  
   73    74    78    79    80    75    76    77  
   74    78    79    80    75  
   78    79    80    75  
   76    77    78    79    80  
   77    78  
   78  
   79    80  
   80  
    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  -0.175000   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  -0.052500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.340500   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   51   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   58   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   60   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   61   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   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   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   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  1.088
   33    38   260.000  1.509
   33    41   260.000  1.509
   38    39   340.000  1.088
   38    40   340.000  1.088
   38    41   260.000  1.509
   41    42   340.000  1.088
   41    43   382.000  1.448
   43    44   481.000  1.340
   43    54   425.000  1.378
   44    45   469.000  1.400
   44    58   469.000  1.400
   45    46   469.000  1.400
   45    48   310.000  1.470
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   420.000  1.354
   50    53   469.000  1.400
   53    58   469.000  1.400
   53    60   481.000  1.340
   58    59   300.000  1.725
   60    63   382.000  1.448
   60    75   382.000  1.448
   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   275.000  1.510
   66    69   382.000  1.448
   68    72   260.000  1.509
   68    78   260.000  1.509
   68    75   275.000  1.510
   72    73   340.000  1.088
   72    74   340.000  1.088
   72    78   260.000  1.509
   78    79   340.000  1.088
   78    80   340.000  1.088
   75    76   340.000  1.090
   75    77   340.000  1.090
   69    70   434.000  1.010
   69    71   434.000  1.010
   48    49   570.000  1.229
   48    52   320.000  1.462
   52    54   549.000  1.340
   52    56   410.000  1.444
   54    55   340.000  1.080
   56    57   570.000  1.229
   56    61   450.000  1.364
   61    62   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  117.20000
   33    38    40    37.50000  117.20000
   33    38    41    10.00000   60.00500
   33    41    38    10.00000   60.00500
   33    41    42    37.50000  117.20000
   33    41    43    70.00000  118.23000
   38    33    34    37.50000  117.20000
   38    41    42    37.50000  117.20000
   38    41    43    70.00000  118.23000
   40    38    39    35.00000  114.30000
   41    33    34    37.50000  117.20000
   41    33    38    10.00000   60.00500
   41    38    39    37.50000  117.20000
   41    38    40    37.50000  117.20000
   41    43    44    50.00000  120.00000
   41    43    54    50.00000  121.00000
   43    41    42    35.00000  109.50000
   43    44    45    70.00000  120.10000
   43    44    58    70.00000  120.10000
   43    54    52    70.00000  124.03900
   43    54    55    50.00000  112.30800
   44    45    46    63.00000  120.00000
   44    45    48    60.00000  119.52600
   44    58    53    63.00000  120.00000
   44    58    59    75.00000  120.00000
   45    46    47    35.00000  120.00000
   45    46    50    63.00000  120.00000
   45    48    49    75.00000  123.78400
   45    48    52    65.00000  117.02400
   46    50    51    80.00000  120.00000
   46    50    53    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    53    58    63.00000  120.00000
   50    53    60    70.00000  120.10000
   53    50    51    80.00000  120.00000
   53    58    59    75.00000  120.00000
   53    60    63    50.00000  120.00000
   53    60    75    50.00000  120.00000
   58    44    45    63.00000  120.00000
   60    53    58    70.00000  120.10000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    80.00000  111.61500
   60    75    68    80.00000  111.61500
   60    75    76    35.00000  109.50000
   60    75    77    35.00000  109.50000
   63    66    67    37.50000  110.70000
   63    66    68    70.00000  112.37300
   63    66    69    56.20000  109.47000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    72    60.00000  120.94000
   66    68    78    60.00000  120.94000
   66    68    75    58.35000  112.70000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   68    66    67    45.00000  109.38400
   68    72    73    37.50000  117.20000
   68    72    74    37.50000  117.20000
   68    72    78    10.00000   60.00500
   68    78    72    10.00000   60.00500
   68    78    79    37.50000  117.20000
   68    78    80    37.50000  117.20000
   68    75    76    45.00000  109.38400
   68    75    77    45.00000  109.38400
   72    78    79    37.50000  117.20000
   72    78    80    37.50000  117.20000
   74    72    73    35.00000  114.30000
   78    68    72    10.00000   60.00500
   78    72    73    37.50000  117.20000
   78    72    74    37.50000  117.20000
   80    78    79    35.00000  114.30000
   75    60    63    50.00000  115.00000
   75    68    72    60.00000  120.94000
   75    68    78    60.00000  120.94000
   77    75    76    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    56.20000  109.47000
   71    69    70    43.60000  106.40000
   48    45    46    60.00000  119.52600
   48    52    54    65.00000  118.96000
   48    52    56    55.00000  123.68000
   52    48    49    80.00000  123.72100
   52    54    55    35.00000  120.00000
   52    56    57    80.00000  125.30000
   52    56    61    90.00000  111.55000
   54    43    44    75.00000  121.78000
   56    52    54    70.00000  118.70000
   56    61    62    35.00000  113.00000
   61    56    57   100.00000  123.32000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33   -38    41   0.44750  1.0 1.0
   29    33   -38    41  -0.17800 -1.0 2.0
   29    33   -38    41   0.20200  1.0 3.0
   29    33   -41    38   0.44750  1.0 1.0
   29    33   -41    38  -0.17800 -1.0 2.0
   29    33   -41    38   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.56750  1.0 1.0
   29    33    41    43  -0.07550 -1.0 2.0
   29    33    41    43   0.20000  1.0 3.0
   33    38   -41    42   0.15000  1.0 3.0
   33    38   -41    43   1.26750  1.0 1.0
   33    38   -41    43  -0.00950 -1.0 2.0
   33    38   -41    43   0.30600  1.0 3.0
   33    41    43    44  -0.12500  1.0 1.0
   33    41    43    44  -0.12500 -1.0 2.0
   33    41    43    44   0.25000  1.0 3.0
   33    41    43    54   0.25450  1.0 1.0
   33    41    43    54  -0.61700 -1.0 2.0
   33    41    43    54  -0.23550  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33   -38    41   0.15000  1.0 3.0
   34    33   -41    38   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.22950  1.0 3.0
   38    33   -41    42   0.15000  1.0 3.0
   38    33   -41    43   1.26750  1.0 1.0
   38    33   -41    43  -0.00950 -1.0 2.0
   38    33   -41    43   0.30600  1.0 3.0
   38    41    43    44  -0.12500  1.0 1.0
   38    41    43    44  -0.12500 -1.0 2.0
   38    41    43    44   0.25000  1.0 3.0
   38    41    43    54   0.25450  1.0 1.0
   38    41    43    54  -0.61700 -1.0 2.0
   38    41    43    54  -0.23550  1.0 3.0
   39    38   -41    33   0.15000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.22950  1.0 3.0
   40    38   -41    33   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.22950  1.0 3.0
   41    33   -38    39   0.15000  1.0 3.0
   41    33   -38    40   0.15000  1.0 3.0
   41    43    44    45  -1.00000  1.0 1.0
   41    43    44    45   1.25000 -1.0 2.0
   41    43    44    58  -1.00000  1.0 1.0
   41    43    44    58   1.25000 -1.0 2.0
   41    43    54    52  -0.54700  1.0 1.0
   41    43    54    52   1.23000 -1.0 2.0
   41    43    54    55   0.00000  1.0 1.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    54   0.00000  1.0 1.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    48   3.62500 -1.0 2.0
   43    44    58    53   3.62500 -1.0 2.0
   43    44    58    59   3.62500 -1.0 2.0
   44    43    54    52  -0.54500  1.0 1.0
   44    43    54    52   1.14150 -1.0 2.0
   44    43    54    55   0.00000  1.0 1.0
   44    45    46    47   3.62500 -1.0 2.0
   44    45    46    50   3.62500 -1.0 2.0
   44    45    48    49   1.05000 -1.0 2.0
   44    45   -48    52  -0.11500  1.0 1.0
   44    45   -48    52   1.10450 -1.0 2.0
   44    45   -48    52  -0.48050  1.0 3.0
   45    44    58    53   3.62500 -1.0 2.0
   45    44    58    59   3.62500 -1.0 2.0
   45    46    50    51   3.62500 -1.0 2.0
   45    46   -50    53   3.62500 -1.0 2.0
   45    48    52    54  -1.65800  1.0 1.0
   45    48    52    54   0.77650 -1.0 2.0
   45    48    52    56   1.50000 -1.0 2.0
   46    45    48    49   1.05000 -1.0 2.0
   46    45    48    52  -0.11500  1.0 1.0
   46    45    48    52   1.10450 -1.0 2.0
   46    45    48    52  -0.48050  1.0 3.0
   46    50    53    58   3.62500 -1.0 2.0
   46    50    53    60   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    53   3.62500 -1.0 2.0
   50    53   -58    44   3.62500 -1.0 2.0
   50    53    58    59   3.62500 -1.0 2.0
   50    53    60    63  -1.00000  1.0 1.0
   50    53    60    63   1.25000 -1.0 2.0
   50    53    60    75  -1.00000  1.0 1.0
   50    53    60    75   1.25000 -1.0 2.0
   51    50    53    58   3.62500 -1.0 2.0
   51    50    53    60   3.62500 -1.0 2.0
   53    60    63    64   0.00000  1.0 1.0
   53    60    63    65   0.00000  1.0 1.0
   53    60    63    66  -0.12500  1.0 1.0
   53    60    63    66  -0.12500 -1.0 2.0
   53    60    63    66   0.25000  1.0 3.0
   53    60    75    68  -0.12500  1.0 1.0
   53    60    75    68  -0.12500 -1.0 2.0
   53    60    75    68   0.25000  1.0 3.0
   53    60    75    76   0.00000  1.0 1.0
   53    60    75    77   0.00000  1.0 1.0
   58    44   -45    46   3.62500 -1.0 2.0
   58    44    45    48   3.62500 -1.0 2.0
   58    53    60    63  -1.00000  1.0 1.0
   58    53    60    63   1.25000 -1.0 2.0
   58    53    60    75  -1.00000  1.0 1.0
   58    53    60    75   1.25000 -1.0 2.0
   60    53    58    44   3.62500 -1.0 2.0
   60    53    58    59   3.62500 -1.0 2.0
   60    63    66    67   0.22950  1.0 3.0
   60    63   -66    68   1.26750  1.0 1.0
   60    63   -66    68  -0.00950 -1.0 2.0
   60    63   -66    68   0.30600  1.0 3.0
   60    63    66    69   4.29400  1.0 1.0
   60    63    66    69   0.12050 -1.0 2.0
   63    60   -75    68   0.00000  1.0 1.0
   63    60    75    76   0.00000  1.0 1.0
   63    60    75    77   0.00000  1.0 1.0
   63    66    68    72   0.07850  1.0 1.0
   63    66    68    72  -0.03950 -1.0 2.0
   63    66    68    72   0.67350  1.0 3.0
   63    66    68    78   0.07850  1.0 1.0
   63    66    68    78  -0.03950 -1.0 2.0
   63    66    68    78   0.67350  1.0 3.0
   63    66   -68    75   0.56750  1.0 1.0
   63    66   -68    75  -0.07550 -1.0 2.0
   63    66   -68    75   0.20000  1.0 3.0
   63    66    69    70  -0.05950  1.0 1.0
   63    66    69    70   0.08850 -1.0 2.0
   63    66    69    70   0.11750  1.0 3.0
   63    66    69    71  -0.05950  1.0 1.0
   63    66    69    71   0.08850 -1.0 2.0
   63    66    69    71   0.11750  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    68    72    73   0.15000  1.0 3.0
   66    68    72    74   0.15000  1.0 3.0
   66    68   -72    78   0.07850  1.0 1.0
   66    68   -72    78  -0.03950 -1.0 2.0
   66    68   -72    78   0.67350  1.0 3.0
   66    68   -78    72   0.07850  1.0 1.0
   66    68   -78    72  -0.03950 -1.0 2.0
   66    68   -78    72   0.67350  1.0 3.0
   66    68    78    79   0.15000  1.0 3.0
   66    68    78    80   0.15000  1.0 3.0
   66    68   -75    60   1.26750  1.0 1.0
   66    68   -75    60  -0.00950 -1.0 2.0
   66    68   -75    60   0.30600  1.0 3.0
   66    68    75    76   0.15000  1.0 3.0
   66    68    75    77   0.15000  1.0 3.0
   67    66    68    72   0.15000  1.0 3.0
   67    66    68    78   0.15000  1.0 3.0
   67    66    68    75   0.15000  1.0 3.0
   67    66    69    70   0.20000  1.0 3.0
   67    66    69    71   0.20000  1.0 3.0
   68    66    69    70  -0.05950  1.0 1.0
   68    66    69    70   0.08850 -1.0 2.0
   68    66    69    70   0.11750  1.0 3.0
   68    66    69    71  -0.05950  1.0 1.0
   68    66    69    71   0.08850 -1.0 2.0
   68    66    69    71   0.11750  1.0 3.0
   68    72   -78    79   0.15000  1.0 3.0
   68    72   -78    80   0.15000  1.0 3.0
   72    68   -78    79   0.15000  1.0 3.0
   72    68   -78    80   0.15000  1.0 3.0
   72    68    75    60   1.26750  1.0 1.0
   72    68    75    60  -0.00950 -1.0 2.0
   72    68    75    60   0.30600  1.0 3.0
   72    68    75    76   0.15000  1.0 3.0
   72    68    75    77   0.15000  1.0 3.0
   73    72   -78    68   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   74    72   -78    68   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   78    68   -72    73   0.15000  1.0 3.0
   78    68   -72    74   0.15000  1.0 3.0
   78    68    75    60   1.26750  1.0 1.0
   78    68    75    60  -0.00950 -1.0 2.0
   78    68    75    60   0.30600  1.0 3.0
   78    68    75    76   0.15000  1.0 3.0
   78    68    75    77   0.15000  1.0 3.0
   75    60    63    64   0.00000  1.0 1.0
   75    60    63    65   0.00000  1.0 1.0
   75    60   -63    66   0.00000  1.0 1.0
   75    68    72    73   0.15000  1.0 3.0
   75    68    72    74   0.15000  1.0 3.0
   75    68   -72    78   0.07850  1.0 1.0
   75    68   -72    78  -0.03950 -1.0 2.0
   75    68   -72    78   0.67350  1.0 3.0
   75    68   -78    72   0.07850  1.0 1.0
   75    68   -78    72  -0.03950 -1.0 2.0
   75    68   -78    72   0.67350  1.0 3.0
   75    68    78    79   0.15000  1.0 3.0
   75    68    78    80   0.15000  1.0 3.0
   69    66    68    72   1.53400  1.0 1.0
   69    66    68    72  -0.09950 -1.0 2.0
   69    66    68    72   0.05700  1.0 3.0
   69    66    68    78   1.53400  1.0 1.0
   69    66    68    78  -0.09950 -1.0 2.0
   69    66    68    78   0.05700  1.0 3.0
   69    66    68    75   1.53400  1.0 1.0
   69    66    68    75  -0.09950 -1.0 2.0
   69    66    68    75   0.05700  1.0 3.0
   48    45    46    47   3.62500 -1.0 2.0
   48    45    46    50   3.62500 -1.0 2.0
   48    52   -54    43   7.00000 -1.0 2.0
   48    52    54    55   7.00000 -1.0 2.0
   48    52    56    57   2.50000 -1.0 2.0
   48    52    56    61   1.00000 -1.0 2.0
   49    48    52    54   1.00000 -1.0 2.0
   49    48    52    56   2.50000 -1.0 2.0
   52    56    61    62   1.22000  1.0 1.0
   52    56    61    62   0.17300 -1.0 2.0
   54    43   -44    45   0.70250  1.0 1.0
   54    43   -44    45   1.56150 -1.0 2.0
   54    43    44    58   0.70250  1.0 1.0
   54    43    44    58   1.56150 -1.0 2.0
   54    52    56    57   1.00000 -1.0 2.0
   54    52    56    61  -0.01000  1.0 1.0
   54    52    56    61   1.29850 -1.0 2.0
   54    52    56    61  -0.09550  1.0 3.0
   56    52    54    43   7.00000 -1.0 2.0
   56    52    54    55   7.00000 -1.0 2.0
   57    56    61    62   0.92200  1.0 1.0
   57    56    61    62   3.74100 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   44    54    43    41   1.00000 -1.0 2.0
   45    58    44    43   4.00000 -1.0 2.0
   46    48    45    44   4.00000 -1.0 2.0
   50    47    46    45   1.10000 -1.0 2.0
   53    51    50    46   4.00000 -1.0 2.0
   58    60    53    50   4.00000 -1.0 2.0
   53    59    58    44   4.00000 -1.0 2.0
   75    53    60    63   1.00000 -1.0 2.0
   45    52    48    49  10.50000 -1.0 2.0
   48    56    52    54   1.10000 -1.0 2.0
   43    55    54    52   1.10000 -1.0 2.0
   52    61    56    57  10.50000 -1.0 2.0
END
