* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    143    236     426
    1     0 S   NP   _N1_     1    30.80065   101.29273   -21.89380
    2     1 S   H    _HN1     2     1.02875    74.97387   -88.64816
    3     1 S   H    _H1_     3     1.02722    58.53488   149.53322
    4     1 S   H    _H2_     4     1.03454   165.77129   168.41746
    5     1 S   CT   _CA1     5     1.50255    79.05936    26.23688
    6     5 S   HC   _HA1     6     1.09323   104.97991   105.03407
    7     5 S   CO3  _C1_     7     1.53629   113.28163   -15.43300
    8     7 S   O2Z  _O11     8     1.26424   115.06818   -31.95617
    9     7 S   O2Z  _O12     9     1.26242   115.09740   147.39626
   10     5 S   CT   _CB1    10     1.52697   107.07793  -136.50029
   11    10 S   HC   HB11    11     1.09484   109.34678   -41.03883
   12    10 S   HC   HB12    12     1.09854   110.49848    74.69765
   13    10 S   CT   _CG1    13     1.53050   113.75646  -162.49263
   14    13 S   HC   HG11    14     1.09485   111.41376   -77.79540
   15    13 S   HC   HG12    15     1.09505   111.24603    42.32854
   16    13 S   C    _CD1    16     1.51408   107.83045   162.69597
   17    16 S   O    _OE1    17     1.22878   121.58178    85.00517
   18    16 S   N    _N2_    18     1.38592   112.83047   -90.32927
   19    18 S   H    _HN2    19     1.01631   119.41566    -9.31825
   20    18 S   CT1  _CA2    20     1.45876   122.30855   166.48769
   21    20 S   HC   _HA2    21     1.09751   108.61239    23.52884
   22    20 S   C    _C2_    22     1.53499   109.55504   -92.21419
   23    22 S   O    _O2_    23     1.23232   120.70601   157.33108
   24    20 S   CT   _CB2    32     1.53192   112.79281   146.25227
   25    24 S   HC   HB21    33     1.09482   110.27318    55.91189
   26    24 S   HC   HB22    34     1.09444   108.90240   174.68047
   27    22 S   N    _N3_    24     1.38476   115.33781   -29.34367
   28    27 S   H    _HN3    25     1.01465   119.61938     2.87991
   29    24 S   S    _SG2    35     1.82954   110.68158   -64.49975
   30    27 S   CT   _CA3    26     1.45480   122.46478  -177.03575
   31    30 S   HC   HA31    27     1.09562   108.50183   -43.15250
   32    30 S   HC   HA32    28     1.09581   106.79884    72.83545
   33    29 S   CT   _C20    36     1.85391   103.02568  -159.78060
   34    33 S   OM   _O39    37     1.31974   110.77013    67.64138
   35    30 S   CO3  _C3_    29     1.52916   114.77779  -164.96294
   36    35 S   O2Z  _O31    30     1.26398   116.25469    30.42396
   37    35 S   O2Z  _O32    31     1.26415   114.64865  -150.05833
   38    33 S   CO4  _C19    38     1.53863   109.04002   -50.00454
   39    38 S   O    _O36    39     1.23847   122.05408    78.40066
   40    33 S   CT   _C21    71     1.55323   110.67229  -171.12892
   41    40 S   HC   _H4_    72     1.10309   109.69299   175.75758
   42    38 S   CT   _C17    40     1.54369   118.74832  -104.09259
   43    42 S   HC   _H3_    41     1.10328   102.78809   -90.54089
   44    40 S   C    _C23    73     1.54066   114.16551   -65.44362
   45    44 S   O    _O38    74     1.22868   124.34197    83.09375
   46    42 S   CT   _C18    42     1.54191   110.38784   155.57304
   47    46 S   HC   _H11    43     1.09690   111.48707   171.78604
   48    46 S   HC   _H12    44     1.09497   107.62867    54.94033
   49    44 S   N    _N4_    75     1.37846   113.52621   -96.87810
   50    49 S   H    _H13    76     1.01399   122.17161     4.03566
   51    49 S   H    _H14    77     1.01310   120.32419   179.82983
   52    46 S   CA   _C6_    45     1.51508   110.16767   -66.97773
   53    52 S   CA   _C7_    46     1.40095   118.36048   -40.80487
   54    53 S   CA   _C8_    47     1.42431   122.75991   174.57827
   55    54 S   OM   _O34    48     1.28378   121.37074  -177.45163
   56    53 S   CO4  _C15    65     1.51130   116.00057    -8.63738
   57    56 S   O    _O35    66     1.23196   119.12871  -141.19046
   58    54 S   CA   _C9_    49     1.45666   116.66579     0.34887
   59    42 S   CT   _C16    67     1.54109   115.29166    29.58320
   60    59 S   OM   _O40    68     1.32624   107.73153  -149.33960
   61    58 S   CA   _C10    50     1.43878   121.54952    -1.18548
   62    59 S   CO4  _C22    69     1.53642   113.79189   -34.55517
   63    62 S   O    _O37    70     1.23420   122.01030   174.44547
   64    52 S   CA   _C5_    51     1.41049   121.96902   138.90847
   65    61 S   CA   _C11    56     1.44386   117.00732  -173.21236
   66    65 S   Cl   Cl1_    57     1.74161   124.19979   166.89073
   67    64 S   CT   _C4_    52     1.51466   117.26062    13.54924
   68    67 S   HC   _H5_    53     1.09347   110.89435   -94.29625
   69    67 S   HC   _H6_    54     1.09531   111.83015    26.95968
   70    67 S   HC   _H7_    55     1.09374   111.10997   141.28753
   71    65 S   CA   _C12    58     1.39735   122.96699    -7.17862
   72    71 S   HA   _H8_    59     1.08757   121.26447  -179.13679
   73    71 S   CA   _C13    60     1.37287   119.79180     2.48876
   74    73 S   HA   _H9_    61     1.08577   120.09891  -180.00000
   75    58 S   CA   _C14    62     1.43626   121.89666   178.61520
   76    75 S   OH   _O33    63     1.37900   122.91062    -3.33542
   77    76 S   HO   _H10    64     0.97528   107.60509     0.77708
  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  14   5  12   6  13   8   7   4  12   5   4
   3   1   1  14  12  11   4   7   3  11   3   2  12   1   1   8
   7   3   3   2   1   1   5   3   4   2   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    62    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    59    62    63    40    41    44    45    49  
   38    39    42    62    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    52    56    59    60    62    40    41    44  
   42    43    46    59    40  
   41    44    45    49    50    51    42    56    59    60    62    63  
   44    45    49    59    62    63  
   43    46    47    48    52    53    64    56    57    59    60    62    63  
   46    47    48    52    56    59    60    62  
   45    49    50    51    59    62    63  
   49    50    51    62  
   47    48    52    53    54    61    64    67    56    59    60    62  
   48    52    53    64    59  
   52    53    64    59  
   50    51    62  
   51  
    0  
   53    54    55    58    61    64    67    68    69    70    65    56    57    59  
   54    55    58    61    64    67    75    56    57    59    60    62  
   55    58    61    64    65    73    75    76    56    57    59  
   58    61    75    56  
   57    59    60    62    63    58    64  
   59    60    62  
   61    64    67    65    66    71    73    74    75    76    77  
   60    62    63  
   62    63  
   64    67    68    69    70    65    66    71    72    73    75    76  
   63  
    0  
   67    68    69    70    65    66    71    75  
   66    71    72    73    74    75    67  
   71    72    73  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75  
   74    75    76    77  
   75    76  
   76    77  
   77  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   317.000  1.522
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    59   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   469.000  1.400
   52    64   469.000  1.400
   53    54   469.000  1.400
   53    56   310.000  1.470
   54    55   450.000  1.364
   54    58   469.000  1.400
   58    61   469.000  1.400
   58    75   469.000  1.400
   61    64   469.000  1.400
   61    65   469.000  1.400
   64    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   65    66   300.000  1.725
   65    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   450.000  1.364
   76    77   553.000  0.945
   56    57   570.000  1.229
   56    59   317.000  1.522
   59    60   570.000  1.307
   59    62   317.000  1.522
   62    63   570.000  1.229
   62    40   317.000  1.522
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.00000
   33    40    62    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    46    63.00000  111.10000
   38    42    59    63.00000  111.10000
   42    38    39    80.00000  120.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    70.00000  112.17500
   42    59    56    63.00000  111.10000
   42    59    60    50.00000  109.50000
   42    59    62    63.00000  111.10000
   46    42    43    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    64    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    56    60.00000  119.52600
   52    64    61    63.00000  120.00000
   52    64    67    70.00000  120.00000
   53    54    55    70.00000  120.00000
   53    54    58    63.00000  120.00000
   53    56    57    75.00000  123.78400
   53    56    59    65.00000  115.47100
   54    58    61    63.00000  120.00000
   54    58    75    63.00000  120.00000
   58    54    55    70.00000  120.00000
   58    61    64    63.00000  120.00000
   58    61    65    63.00000  120.00000
   58    75    73    63.00000  120.00000
   58    75    76    70.00000  120.00000
   61    64    67    70.00000  120.00000
   61    65    66    75.00000  120.00000
   61    65    71    63.00000  120.00000
   64    52    53    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   65    61    64    63.00000  120.00000
   65    71    72    35.00000  120.00000
   65    71    73    63.00000  120.00000
   71    65    66    75.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    70.00000  120.00000
   75    58    61    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  113.00000
   56    53    54    60.00000  119.52600
   56    59    60    90.00000  108.74100
   56    59    62    75.00000  107.99600
   59    42    43    37.50000  110.70000
   59    42    46    58.35000  112.70000
   59    56    57    80.00000  120.40000
   59    62    63    80.00000  120.40000
   59    62    40    70.00000  116.00000
   62    59    60    90.00000  108.74100
   62    40    41    35.00000  109.50000
   62    40    44    70.00000  107.85200
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    62    63    80.00000  120.40000
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.60000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  119.80000
   44    49    51    35.00000  119.80000
   49    44    45    80.00000  122.90000
   51    49    50    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    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   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    62   0.56750  1.0 1.0
   29    33    40    62  -0.07550 -1.0 2.0
   29    33    40    62   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    46   0.60050  1.0 1.0
   33    38    42    46   0.05600 -1.0 2.0
   33    38    42    46   0.26150  1.0 3.0
   33    38    42    59   0.60050  1.0 1.0
   33    38    42    59   0.05600 -1.0 2.0
   33    38    42    59   0.26150  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   1.39750  1.0 1.0
   33    40    44    49  -0.07950 -1.0 2.0
   33    40    44    49  -0.18750  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.55300  1.0 1.0
   34    33    38    42   1.25850 -1.0 2.0
   34    33    38    42  -0.23600  1.0 3.0
   34    33    40    62  -0.09450  1.0 1.0
   34    33    40    62  -1.12950 -1.0 2.0
   34    33    40    62   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44  -0.09450  1.0 1.0
   34    33    40    44  -1.12950 -1.0 2.0
   34    33    40    44   0.54000  1.0 3.0
   38    33    40    62   0.11950  1.0 1.0
   38    33    40    62   0.20300 -1.0 2.0
   38    33    40    62  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    42    46    47  -0.11250  1.0 3.0
   38    42    46    48  -0.11250  1.0 3.0
   38    42    46    52   0.56750  1.0 1.0
   38    42    46    52  -0.07550 -1.0 2.0
   38    42    46    52   0.20000  1.0 3.0
   38    42    59    56   0.11950  1.0 1.0
   38    42    59    56   0.20300 -1.0 2.0
   38    42    59    56  -0.70800  1.0 3.0
   38    42    59    60  -0.09450  1.0 1.0
   38    42    59    60  -1.12950 -1.0 2.0
   38    42    59    60   0.54000  1.0 3.0
   38    42   -59    62   0.11950  1.0 1.0
   38    42   -59    62   0.20300 -1.0 2.0
   38    42   -59    62  -0.70800  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.30150 -1.0 2.0
   39    38    42    59   0.30150 -1.0 2.0
   42    46    52    53   0.04150 -1.0 2.0
   42    46    52    64   0.04150 -1.0 2.0
   42    59    62    63   0.30150 -1.0 2.0
   42    59    62    40   0.60050  1.0 1.0
   42    59    62    40   0.05600 -1.0 2.0
   42    59    62    40   0.26150  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.43200  1.0 3.0
   43    42    59    56  -0.11250  1.0 3.0
   43    42    59    60   0.23400  1.0 3.0
   43    42    59    62  -0.11250  1.0 3.0
   46    42    59    56  -0.95700  1.0 1.0
   46    42    59    56  -0.18200 -1.0 2.0
   46    42    59    56   0.29450  1.0 3.0
   46    42    59    60   0.62750  1.0 1.0
   46    42    59    60  -0.30950 -1.0 2.0
   46    42    59    60   0.27300  1.0 3.0
   46    42    59    62  -0.95700  1.0 1.0
   46    42    59    62  -0.18200 -1.0 2.0
   46    42    59    62   0.29450  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52   -53    56   3.62500 -1.0 2.0
   46    52    64    61   3.62500 -1.0 2.0
   46    52    64    67   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    64   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    64   0.00000  1.0 1.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    56    57   1.05000 -1.0 2.0
   52    53    56    59   2.26350  1.0 1.0
   52    53    56    59   0.76750 -1.0 2.0
   52    53    56    59   0.22500  1.0 3.0
   52    64    67    68   0.00000  1.0 1.0
   52    64    67    69   0.00000  1.0 1.0
   52    64    67    70   0.00000  1.0 1.0
   53    52    64    61   3.62500 -1.0 2.0
   53    52    64    67   3.62500 -1.0 2.0
   53    54   -58    61   3.62500 -1.0 2.0
   53    54    58    75   3.62500 -1.0 2.0
   53    56   -59    42   0.05850 -1.0 2.0
   53    56   -59    42   0.17250  1.0 3.0
   53    56    59    60   0.65300  1.0 1.0
   53    56    59    60  -0.03850 -1.0 2.0
   53    56    59    60   0.33900  1.0 3.0
   53    56    59    62   0.65300  1.0 1.0
   53    56    59    62  -0.03850 -1.0 2.0
   53    56    59    62   0.33900  1.0 3.0
   54    53    56    57   1.05000 -1.0 2.0
   54    53    56    59   2.26350  1.0 1.0
   54    53    56    59   0.76750 -1.0 2.0
   54    53    56    59   0.22500  1.0 3.0
   54    58    61    64   3.62500 -1.0 2.0
   54    58    61    65   3.62500 -1.0 2.0
   54    58    75    73   3.62500 -1.0 2.0
   54    58    75    76   3.62500 -1.0 2.0
   55    54    58    61   3.62500 -1.0 2.0
   55    54    58    75   3.62500 -1.0 2.0
   58    61   -64    52   3.62500 -1.0 2.0
   58    61    64    67   3.62500 -1.0 2.0
   58    61    65    66   3.62500 -1.0 2.0
   58    61    65    71   3.62500 -1.0 2.0
   58    75    76    77   0.84100 -1.0 2.0
   61    58    75    73   3.62500 -1.0 2.0
   61    58    75    76   3.62500 -1.0 2.0
   61    64    67    68   0.00000  1.0 1.0
   61    64    67    69   0.00000  1.0 1.0
   61    64    67    70   0.00000  1.0 1.0
   61    65    71    72   3.62500 -1.0 2.0
   61    65   -71    73   3.62500 -1.0 2.0
   64    52   -53    54   3.62500 -1.0 2.0
   64    52    53    56   3.62500 -1.0 2.0
   64    61    65    66   3.62500 -1.0 2.0
   64    61    65    71   3.62500 -1.0 2.0
   65    61    64    52   3.62500 -1.0 2.0
   65    61    64    67   3.62500 -1.0 2.0
   65    71    73    74   3.62500 -1.0 2.0
   65    71    73    75   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    73   3.62500 -1.0 2.0
   71    73   -75    58   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   0.84100 -1.0 2.0
   74    73    75    58   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    58    61    64   3.62500 -1.0 2.0
   75    58   -61    65   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    58   3.62500 -1.0 2.0
   56    59    62    63   0.30150 -1.0 2.0
   56    59    62    40   0.65300  1.0 1.0
   56    59    62    40  -0.03850 -1.0 2.0
   56    59    62    40   0.33900  1.0 3.0
   57    56    59    42   0.30150 -1.0 2.0
   57    56    59    60   0.30150 -1.0 2.0
   57    56    59    62   0.30150 -1.0 2.0
   59    42    46    47   0.15000  1.0 3.0
   59    42    46    48   0.15000  1.0 3.0
   59    42   -46    52  -0.03700  1.0 1.0
   59    42   -46    52   0.37200 -1.0 2.0
   59    42   -46    52  -0.47300  1.0 3.0
   59    62   -40    33   0.60050  1.0 1.0
   59    62   -40    33   0.05600 -1.0 2.0
   59    62   -40    33   0.26150  1.0 3.0
   59    62    40    41   0.00000  1.0 1.0
   59    62    40    44   0.65300  1.0 1.0
   59    62    40    44  -0.03850 -1.0 2.0
   59    62    40    44   0.33900  1.0 3.0
   60    59    62    63   0.30150 -1.0 2.0
   60    59    62    40   0.55300  1.0 1.0
   60    59    62    40   1.25850 -1.0 2.0
   60    59    62    40  -0.23600  1.0 3.0
   62    40    44    45   0.30150 -1.0 2.0
   62    40    44    49   0.00000  1.0 1.0
   63    62    40    33   0.30150 -1.0 2.0
   63    62    40    41   0.00000  1.0 1.0
   63    62    40    44   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.60050  1.0 1.0
   40    33   -38    42   0.05600 -1.0 2.0
   40    33   -38    42   0.26150  1.0 3.0
   40    44    49    50   2.45000 -1.0 2.0
   40    44    49    51   2.45000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   45    44    49    50   2.45000 -1.0 2.0
   45    44    49    51   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   53    64    52    46   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   58    55    54    53   4.00000 -1.0 2.0
   61    75    58    54   4.00000 -1.0 2.0
   64    65    61    58   4.00000 -1.0 2.0
   61    67    64    52   4.00000 -1.0 2.0
   71    66    65    61   4.00000 -1.0 2.0
   73    72    71    65   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    58   4.00000 -1.0 2.0
   53    59    56    57  10.50000 -1.0 2.0
   59    40    62    63  10.50000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   51    44    49    50   1.00000 -1.0 2.0
END
