* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    144    240     434
    1     0 S   NP   _N1_     1    28.79265    99.51037   -20.51820
    2     1 S   H    _HN1     2     1.02778    94.66204   -92.30637
    3     1 S   H    _H1_     3     1.02957    58.77305    16.28831
    4     1 S   H    _H2_     4     1.02832    57.23609   159.40494
    5     1 S   CT   _CA1     5     1.50124   153.15210    89.16065
    6     5 S   HC   _HA1     6     1.09592   105.16776   117.06634
    7     5 S   CO3  _C1_     7     1.53562   112.19891    -2.90663
    8     7 S   O2Z  _O11     8     1.26324   114.92579   -50.09568
    9     7 S   O2Z  _O12     9     1.26244   114.83075   128.57820
   10     5 S   CT   _CB1    10     1.53015   107.37960  -125.36721
   11    10 S   HC   HB11    11     1.09837   108.78883   -53.19536
   12    10 S   HC   HB12    12     1.09808   110.71216    63.15482
   13    10 S   CT   _CG1    13     1.53082   112.80143  -174.37148
   14    13 S   HC   HG11    14     1.09607   110.65337   -72.36409
   15    13 S   HC   HG12    15     1.09680   109.83409    46.87625
   16    13 S   C    _CD1    16     1.51849   111.90681   166.88503
   17    16 S   O    _OE1    17     1.22792   123.22475     8.76596
   18    16 S   N    _N2_    18     1.38433   111.92736  -170.63246
   19    18 S   H    _HN2    19     1.01733   119.30375    -0.94771
   20    18 S   CT1  _CA2    20     1.45713   122.72151   173.31446
   21    20 S   HC   _HA2    21     1.09727   108.91714    30.00972
   22    20 S   C    _C2_    22     1.53068   106.80173   -86.83066
   23    22 S   O    _O2_    23     1.22985   123.15431   -27.53124
   24    20 S   CT   _CB2    32     1.53035   112.22950   153.86882
   25    24 S   HC   HB21    33     1.09310   110.05737    52.20454
   26    24 S   HC   HB22    34     1.09583   110.11745   169.26707
   27    22 S   N    _N3_    24     1.38543   112.53537   155.02070
   28    27 S   H    _HN3    25     1.01652   120.32744    -1.75881
   29    24 S   S    _SG2    35     1.83091   111.13107   -73.26296
   30    27 S   CT   _CA3    26     1.45343   122.45433   178.69644
   31    30 S   HC   HA31    27     1.09569   107.73445   -57.11705
   32    30 S   HC   HA32    28     1.09565   107.66883    59.19301
   33    29 S   CT   _C23    36     1.86713   103.53254   125.25442
   34    33 S   OM   _O38    37     1.32253   111.34004    44.94136
   35    30 S   CO3  _C3_    29     1.52883   114.37578  -179.01186
   36    35 S   O2Z  _O31    30     1.26332   116.09862    -1.10783
   37    35 S   O2Z  _O32    31     1.26448   114.39979   178.89536
   38    33 S   CM   _C6_    38     1.53536   108.08896   162.25826
   39    33 S   CT   _C22    68     1.56515   108.06575   -76.17121
   40    39 S   HC   _H4_    69     1.09761   110.03597   -36.02488
   41    38 S   CMA  _C7_    39     1.36133   126.83255   127.15675
   42    41 S   OM   _O33    40     1.26929   130.19935   177.74632
   43    39 S   OH   _O39    70     1.43363   111.99731    81.21802
   44    43 S   HO   _H16    71     0.97479   105.63396    43.69019
   45    38 S   CO4  _C5_    74     1.51106   118.47540   -53.88963
   46    45 S   O    _O41    75     1.23035   121.30994   -76.65116
   47    41 S   CT   _C8_    41     1.54890   118.28462    -1.39606
   48    45 S   CT   _C4_    76     1.50938   117.44520   102.90824
   49    48 S   HC   _H5_    77     1.09321   109.18319   119.15312
   50    48 S   HC   _H6_    78     1.09350   111.43966    -0.79672
   51    48 S   HC   _H7_    79     1.09323   109.15729  -120.63934
   52    47 S   CO4  _C21    42     1.54603   110.40929   -98.61120
   53    52 S   O    _O34    43     1.22917   123.50718   -10.69154
   54    47 S   OH   _O40    72     1.43720   111.09003   144.33456
   55    54 S   HO   _H17    73     0.97464   106.01809    34.78238
   56    52 S   CA   _C20    44     1.49208   117.86227   169.77018
   57    56 S   CA   _C11    45     1.39650   118.76648   -17.43920
   58    56 S   CA   _C19    56     1.41202   121.55236   162.51314
   59    57 S   CA   _C12    46     1.40229   118.85719   178.59000
   60    59 S   HA   _H10    47     1.09042   118.51543  -179.09583
   61    58 S   OH   _O35    57     1.37570   120.68684     0.19782
   62    61 S   HO   _H13    58     0.97306   109.44766     4.91845
   63    57 S   CT   _C10    63     1.50590   123.08956     1.88253
   64    63 S   HC   _H8_    64     1.09879   106.91627   104.81337
   65    63 S   HC   _H9_    65     1.09624   109.67398  -140.50553
   66    59 S   CA   _C13    48     1.40300   122.12486     0.52860
   67    47 S   CT   _C9_    66     1.53873   113.08563    23.96644
   68    67 S   HC   _H3_    67     1.10076   109.23578    65.40390
   69    66 S   CA   _C14    49     1.40548   119.40254  -179.50032
   70    69 S   HA   _H11    50     1.08837   119.91796    -0.36530
   71    69 S   CA   _C15    51     1.39079   120.65666  -179.68784
   72    71 S   CA   _C16    52     1.38460   120.53149    -0.22294
   73    72 S   HA   _H12    53     1.08610   119.82600   179.90513
   74    71 S   OH   _O37    61     1.36599   121.13684   179.61488
   75    74 S   HO   _H15    62     0.97246   108.47397    -2.59940
   76    72 S   CA   _C17    54     1.39800   119.22625     0.06853
   77    66 S   CA   _C18    55     1.41561   120.09858     0.43476
   78    76 S   OH   _O36    59     1.37334   117.86062   179.98022
   79    78 S   HO   _H14    60     0.97165   109.16170    -1.31224
  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
  15   7   2   1   1  15  14   6  13   5   5   1   6   4  12   3
   2   1   1  12   5   5   1  13  12  10  11   4   4   1   5   3
   2   8   1   1   8   4   7   7   4   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    63    67    68    39    40    43    44    45    46    48  
   38    41    67    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    52    67    39    40    43    54    45    46    48    49    50    51  
   40    43    44    54    45    41    47    52    57    63    64    65    67    68  
   43    44    47    63    67    68  
   42    47    52    53    56    63    67    68    54    55    45    46    48  
   47    52    67    54    45  
   44    47    63    67    68  
   67  
   46    48    49    50    51    47  
   48    49    50    51  
   52    53    56    57    58    63    64    65    67    68    54    55  
   49    50    51  
   50    51  
   51  
    0  
   53    56    57    59    77    58    61    63    67    68    54    55  
   56    57    58    67    54  
   55    56    63    67    68  
   67  
   57    59    60    66    76    77    58    61    62    63    64    65    67  
   59    60    66    69    77    58    61    63    64    65    67    68  
   61    62    78    63    59    66    69    72    76    77  
   60    66    69    70    71    76    77    63    64    65    67  
   66    69    77    63  
   62    66    76    77  
   77  
   64    65    67    68    66  
   65    67    68  
   67    68  
   69    70    71    72    76    77    78    74  
   68  
    0  
   70    71    72    73    76    77    74    75  
   71    72    77    74  
   72    73    76    77    78    74    75  
   73    76    77    78    79    74    75  
   76    77    78    74  
   75    76  
    0  
   77    78    79  
   78    79  
   79  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   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  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    45   320.000  1.462
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    52   317.000  1.522
   47    67   268.000  1.529
   47    54   320.000  1.410
   52    53   570.000  1.229
   52    56   310.000  1.470
   56    57   469.000  1.400
   56    58   469.000  1.400
   57    59   469.000  1.400
   57    63   317.000  1.510
   59    60   367.000  1.080
   59    66   469.000  1.400
   66    69   469.000  1.400
   66    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   469.000  1.400
   76    78   450.000  1.364
   77    58   469.000  1.400
   58    61   450.000  1.364
   61    62   553.000  0.945
   78    79   553.000  0.945
   74    75   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   54    55   553.000  0.945
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    45    65.00000  116.34900
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   38    45    46    80.00000  123.72100
   38    45    48    65.00000  118.62400
   41    47    52    70.00000  109.06800
   41    47    67    70.00000  112.02700
   41    47    54    90.00000  110.39200
   47    41    42    85.00000  112.85300
   47    52    53    80.00000  120.40000
   47    52    56    65.00000  115.47100
   47    67    63    58.35000  112.70000
   47    67    68    37.50000  110.70000
   47    67    39    58.35000  112.70000
   47    54    55    55.00000  108.50000
   52    56    57    60.00000  119.52600
   52    56    58    60.00000  119.52600
   56    52    53    75.00000  123.78400
   56    57    59    63.00000  120.00000
   56    57    63    70.00000  120.00000
   56    58    77    63.00000  120.00000
   56    58    61    70.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    66    63.00000  120.00000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    67    70.00000  112.17500
   59    66    69    63.00000  120.00000
   59    66    77    63.00000  120.00000
   66    59    60    35.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    71    63.00000  120.00000
   66    77    76    63.00000  120.00000
   66    77    58    63.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    74    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    76    63.00000  120.00000
   71    74    75    35.00000  113.00000
   72    76    77    63.00000  120.00000
   72    76    78    70.00000  120.00000
   76    72    73    35.00000  120.00000
   76    77    58    63.00000  120.00000
   76    78    79    35.00000  113.00000
   77    66    69    63.00000  120.00000
   77    58    61    70.00000  120.00000
   58    56    57    63.00000  120.00000
   58    61    62    35.00000  113.00000
   78    76    77    70.00000  120.00000
   74    71    72    70.00000  120.00000
   63    57    59    70.00000  120.00000
   63    67    68    37.50000  110.70000
   63    67    39    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    47    52    63.00000  111.10000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    43    50.00000  109.50000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   54    47    52    90.00000  109.61100
   54    47    67    50.00000  109.50000
   45    38    41    60.00000  125.92000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    51    35.00000  109.50000
   48    45    46    80.00000  120.40000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  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  -0.62250  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    45   0.09700  1.0 1.0
   29    33    38    45   0.15600 -1.0 2.0
   29    33    38    45  -0.50800  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    45    46  -0.64400  1.0 1.0
   33    38    45    46   0.26850 -1.0 2.0
   33    38    45    48   0.25700  1.0 1.0
   33    38    45    48   0.66200 -1.0 2.0
   33    38    45    48   0.04450  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    45   0.09700  1.0 1.0
   34    33    38    45   0.15600 -1.0 2.0
   34    33    38    45  -0.50800  1.0 3.0
   34    33    39    67   0.62750  1.0 1.0
   34    33    39    67  -0.30950 -1.0 2.0
   34    33    39    67   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   3.69350  1.0 1.0
   34    33    39    43  -1.82950 -1.0 2.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    47    52  -0.51250  1.0 1.0
   38    41    47    52  -0.88800 -1.0 2.0
   38    41    47    52   0.08850  1.0 3.0
   38    41   -47    67   0.09850  1.0 1.0
   38    41   -47    67   0.15250 -1.0 2.0
   38    41   -47    67  -0.50650  1.0 3.0
   38    41    47    54   0.67800  1.0 1.0
   38    41    47    54   0.47050 -1.0 2.0
   38    41    47    54  -0.62500  1.0 3.0
   38    45    48    49   0.00000  1.0 1.0
   38    45    48    50   0.00000  1.0 1.0
   38    45    48    51   0.00000  1.0 1.0
   41    38    45    46   1.00000 -1.0 2.0
   41    38    45    48  -0.33500  1.0 1.0
   41    38    45    48   1.06600 -1.0 2.0
   41    38    45    48  -0.14000  1.0 3.0
   41    47    52    53   0.30150 -1.0 2.0
   41    47    52    56   0.65300  1.0 1.0
   41    47    52    56  -0.03850 -1.0 2.0
   41    47    52    56   0.33900  1.0 3.0
   41    47    67    63   0.34400  1.0 1.0
   41    47    67    63   0.09450 -1.0 2.0
   41    47    67    63   0.11100  1.0 3.0
   41    47    67    68   0.15000  1.0 3.0
   41    47    67    39   0.34400  1.0 1.0
   41    47    67    39   0.09450 -1.0 2.0
   41    47    67    39   0.11100  1.0 3.0
   41    47    54    55  -0.07800  1.0 1.0
   41    47    54    55  -0.21500 -1.0 2.0
   41    47    54    55  -0.03150  1.0 3.0
   42    41    47    52   0.09700  1.0 1.0
   42    41    47    52   0.15600 -1.0 2.0
   42    41    47    52  -0.50800  1.0 3.0
   42    41    47    67   0.09700  1.0 1.0
   42    41    47    67   0.15600 -1.0 2.0
   42    41    47    67  -0.50800  1.0 3.0
   42    41    47    54   0.09700  1.0 1.0
   42    41    47    54   0.15600 -1.0 2.0
   42    41    47    54  -0.50800  1.0 3.0
   47    52    56    57   2.26350  1.0 1.0
   47    52    56    57   0.76750 -1.0 2.0
   47    52    56    57   0.22500  1.0 3.0
   47    52    56    58   2.26350  1.0 1.0
   47    52    56    58   0.76750 -1.0 2.0
   47    52    56    58   0.22500  1.0 3.0
   47    67   -39    33   0.56750  1.0 1.0
   47    67   -39    33  -0.07550 -1.0 2.0
   47    67   -39    33   0.20000  1.0 3.0
   47    67    39    40   0.15000  1.0 3.0
   47    67    39    43   0.86500  1.0 1.0
   47    67    39    43  -0.17500 -1.0 2.0
   47    67    39    43   0.20800  1.0 3.0
   52    47    67    63  -0.95700  1.0 1.0
   52    47    67    63  -0.18200 -1.0 2.0
   52    47    67    63   0.29450  1.0 3.0
   52    47    67    68  -0.11250  1.0 3.0
   52    47    67    39  -0.95700  1.0 1.0
   52    47    67    39  -0.18200 -1.0 2.0
   52    47    67    39   0.29450  1.0 3.0
   52    47    54    55   0.91850  1.0 1.0
   52    47    54    55   0.57950  1.0 3.0
   52    56    57    59   3.62500 -1.0 2.0
   52    56   -57    63   3.62500 -1.0 2.0
   52    56    58    77   3.62500 -1.0 2.0
   52    56    58    61   3.62500 -1.0 2.0
   53    52    56    57   1.05000 -1.0 2.0
   53    52    56    58   1.05000 -1.0 2.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    66   3.62500 -1.0 2.0
   56    57    63    64   0.00000  1.0 1.0
   56    57    63    65   0.00000  1.0 1.0
   56    57    63    67   0.04150 -1.0 2.0
   56    58    61    62   0.84100 -1.0 2.0
   57    56    58    77   3.62500 -1.0 2.0
   57    56    58    61   3.62500 -1.0 2.0
   57    59    66    69   3.62500 -1.0 2.0
   57    59   -66    77   3.62500 -1.0 2.0
   57    63   -67    47  -0.03700  1.0 1.0
   57    63   -67    47   0.37200 -1.0 2.0
   57    63   -67    47  -0.47300  1.0 3.0
   57    63    67    68   0.43200  1.0 3.0
   57    63    67    39  -0.03700  1.0 1.0
   57    63    67    39   0.37200 -1.0 2.0
   57    63    67    39  -0.47300  1.0 3.0
   59    57    63    64   0.00000  1.0 1.0
   59    57    63    65   0.00000  1.0 1.0
   59    57    63    67   0.04150 -1.0 2.0
   59    66    69    70   3.62500 -1.0 2.0
   59    66    69    71   3.62500 -1.0 2.0
   59    66    77    76   3.62500 -1.0 2.0
   59    66    77    58   3.62500 -1.0 2.0
   60    59    66    69   3.62500 -1.0 2.0
   60    59    66    77   3.62500 -1.0 2.0
   66    69    71    72   3.62500 -1.0 2.0
   66    69    71    74   3.62500 -1.0 2.0
   66    77   -58    56   3.62500 -1.0 2.0
   66    77    58    61   3.62500 -1.0 2.0
   69    66    77    76   3.62500 -1.0 2.0
   69    66    77    58   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71   -72    76   3.62500 -1.0 2.0
   69    71    74    75   0.84100 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72    76    77   3.62500 -1.0 2.0
   71    72    76    78   3.62500 -1.0 2.0
   72    71    74    75   0.84100 -1.0 2.0
   72    76   -77    66   3.62500 -1.0 2.0
   72    76    77    58   3.62500 -1.0 2.0
   72    76    78    79   0.84100 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    77    58    56   3.62500 -1.0 2.0
   76    77    58    61   3.62500 -1.0 2.0
   77    66    69    70   3.62500 -1.0 2.0
   77    66   -69    71   3.62500 -1.0 2.0
   77    76    78    79   0.84100 -1.0 2.0
   77    58    61    62   0.84100 -1.0 2.0
   58    56   -57    59   3.62500 -1.0 2.0
   58    56    57    63   3.62500 -1.0 2.0
   78    76    77    66   3.62500 -1.0 2.0
   78    76    77    58   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    76   3.62500 -1.0 2.0
   63    57    59    60   3.62500 -1.0 2.0
   63    57    59    66   3.62500 -1.0 2.0
   63    67    39    33   0.56750  1.0 1.0
   63    67    39    33  -0.07550 -1.0 2.0
   63    67    39    33   0.20000  1.0 3.0
   63    67    39    40   0.15000  1.0 3.0
   63    67    39    43   0.86500  1.0 1.0
   63    67    39    43  -0.17500 -1.0 2.0
   63    67    39    43   0.20800  1.0 3.0
   64    63    67    47   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    39   0.15000  1.0 3.0
   65    63    67    47   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    39   0.15000  1.0 3.0
   67    47    52    53   0.30150 -1.0 2.0
   67    47   -52    56   0.05850 -1.0 2.0
   67    47   -52    56   0.17250  1.0 3.0
   67    47    54    55  -0.11600  1.0 1.0
   67    47    54    55  -0.09450 -1.0 2.0
   67    47    54    55   0.21250  1.0 3.0
   67    39    43    44  -0.11600  1.0 1.0
   67    39    43    44  -0.09450 -1.0 2.0
   67    39    43    44   0.21250  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.23400  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   54    47    52    53   0.30150 -1.0 2.0
   54    47    52    56   0.65300  1.0 1.0
   54    47    52    56  -0.03850 -1.0 2.0
   54    47    52    56   0.33900  1.0 3.0
   54    47    67    63   0.86500  1.0 1.0
   54    47    67    63  -0.17500 -1.0 2.0
   54    47    67    63   0.20800  1.0 3.0
   54    47    67    68   0.23400  1.0 3.0
   54    47    67    39   0.86500  1.0 1.0
   54    47    67    39  -0.17500 -1.0 2.0
   54    47    67    39   0.20800  1.0 3.0
   45    38    41    42   7.00000 -1.0 2.0
   45    38    41    47   7.00000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    51   0.00000  1.0 1.0
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    45    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   47    56    52    53  10.50000 -1.0 2.0
   57    58    56    52   4.00000 -1.0 2.0
   59    63    57    56   4.00000 -1.0 2.0
   66    60    59    57   1.10000 -1.0 2.0
   69    77    66    59   4.00000 -1.0 2.0
   71    70    69    66   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   76    73    72    71   1.10000 -1.0 2.0
   77    78    76    72   4.00000 -1.0 2.0
   76    58    77    66   4.00000 -1.0 2.0
   77    61    58    56   4.00000 -1.0 2.0
   38    48    45    46  10.50000 -1.0 2.0
END
