* LIGAND DATABASE FILE (OPLS2005)
*
001      79    83    156    254     462
    1     0 S   NP   _N1_     1    28.65518    95.92660   -23.22915
    2     1 S   H    _HN1     2     1.02952    76.10631    19.65082
    3     1 S   H    _H1_     3     1.02829    35.61683   169.51870
    4     1 S   H    _H2_     4     1.02782   102.07098   -86.54039
    5     1 S   CT   _CA1     5     1.50112   139.85996   124.92949
    6     5 S   HC   _HA1     6     1.09573   105.20907    85.14488
    7     5 S   CO3  _C1_     7     1.53793   112.42790   -35.09142
    8     7 S   O2Z  _O11     8     1.26370   115.00591   -43.19694
    9     7 S   O2Z  _O12     9     1.26241   114.94392   135.94563
   10     5 S   CT   _CB1    10     1.53085   107.42128  -156.88985
   11    10 S   HC   HB11    11     1.09830   109.37880   -49.99326
   12    10 S   HC   HB12    12     1.09814   110.44101    66.61065
   13    10 S   CT   _CG1    13     1.52983   112.60077  -170.99776
   14    13 S   HC   HG11    14     1.09587   110.57563   -64.93554
   15    13 S   HC   HG12    15     1.09668   109.84090    54.28832
   16    13 S   C    _CD1    16     1.51802   112.28705   174.71936
   17    16 S   O    _OE1    17     1.22728   123.31697     4.38146
   18    16 S   N    _N2_    18     1.38656   111.62905  -175.72630
   19    18 S   H    _HN2    19     1.01588   118.93239     1.67970
   20    18 S   CT1  _CA2    20     1.46168   123.36326   177.92680
   21    20 S   HC   _HA2    21     1.09737   109.37825    -1.40709
   22    20 S   C    _C2_    22     1.53494   108.51621  -116.85605
   23    22 S   O    _O2_    23     1.23049   122.28420  -147.86394
   24    20 S   CT   _CB2    32     1.53373   111.64607   120.61521
   25    24 S   HC   HB21    33     1.09582   110.05420    55.96442
   26    24 S   HC   HB22    34     1.09402   109.97178   174.95768
   27    22 S   N    _N3_    24     1.38333   113.62344    39.58588
   28    27 S   H    _HN3    25     1.01610   119.55843    -3.48448
   29    24 S   S    _SG2    35     1.82845   111.49775   -64.82714
   30    27 S   CT   _CA3    26     1.45290   123.18314   177.04561
   31    30 S   HC   HA31    27     1.09550   107.51943   -64.18461
   32    30 S   HC   HA32    28     1.09557   107.96639    52.24157
   33    29 S   CT   _C19    36     1.84500    99.94621   176.30223
   34    33 S   HC   _H6_    37     1.09771   104.92590   -40.21981
   35    30 S   CO3  _C3_    29     1.52951   114.09779   174.22803
   36    35 S   O2Z  _O31    30     1.26373   116.05848    -0.77909
   37    35 S   O2Z  _O32    31     1.26428   114.41445   179.28181
   38    33 S   CT   _C18    38     1.53551   110.89535    77.47406
   39    38 S   HC   _H5_    39     1.09481   111.87447   -46.28747
   40    38 S   CT   _C17    40     1.52773   112.02405    76.63407
   41    40 S   HC   _H20    41     1.09511   110.16731   -65.69274
   42    40 S   HC   _H21    42     1.09752   109.45449   177.41714
   43    38 S   OH   _O37    78     1.42992   109.05428  -163.57681
   44    43 S   HO   _H23    79     0.97313   107.62719    65.00870
   45    40 S   CT   _C16    43     1.52567   110.03246    58.40203
   46    45 S   HC   _H4_    44     1.09903   108.57457    71.54323
   47    45 S   CT   _C12    45     1.53768   115.94254   -56.71110
   48    45 S   NP   _N4_    56     1.51486   110.60093  -170.27611
   49    48 S   H    _H3_    57     1.02899   111.50072   -38.71948
   50    47 S   CA   _C7_    46     1.56032   106.71317   171.12292
   51    48 S   CT   _C14    58     1.51903   106.08380    81.37989
   52    51 S   HC   _H16    59     1.09458   107.02607   -94.49679
   53    51 S   HC   _H17    60     1.09408   109.58391   146.90377
   54    33 S   CT   _C20    74     1.55977   113.60067  -154.97475
   55    54 S   HC   _H7_    75     1.09926   105.45663   156.62382
   56    50 S   CA   _C8_    47     1.40094   122.32289  -147.71281
   57    56 S   HA   _H11    48     1.08272   122.69850     0.95900
   58    47 S   CT   _C13    61     1.54664   103.01908   -77.05270
   59    58 S   HC   _H14    62     1.09664   112.75080  -149.67789
   60    58 S   HC   _H15    63     1.09096   112.94959    90.07816
   61    54 S   OH   _O36    76     1.42972   109.82710    42.58077
   62    61 S   HO   _H22    77     0.97253   107.92792    47.06652
   63    56 S   CA   _C9_    49     1.38159   118.63719  -178.84360
   64    63 S   CA   _C10    50     1.37834   122.83710     0.26761
   65    64 S   CA   _C5_    51     1.38314   121.18531     0.15577
   66    64 S   OS   _O34    69     1.36259   111.07133  -179.92598
   67    50 S   CA   _C6_    52     1.43596   119.15364    34.44310
   68    65 S   OS   _O33    64     1.36668   127.22235  -179.78786
   69    66 S   CO   _C11    70     1.43813   102.02586    -0.07913
   70    69 S   HC   _H12    71     1.09600   108.72807  -120.89576
   71    69 S   HC   _H13    72     1.09600   108.72806   120.94139
   72    67 S   CT   _C15    53     1.51770   119.42622    -2.26270
   73    72 S   HC   _H18    54     1.09544   111.71754   128.27189
   74    72 S   HC   _H19    55     1.09624   109.80855  -110.69613
   75    68 S   CT   _C4_    65     1.42044   118.39858     0.34774
   76    75 S   HC   _H8_    66     1.09448   107.61786   179.68596
   77    75 S   HC   _H9_    67     1.09455   111.21794    62.32040
   78    75 S   HC   _H10    68     1.09452   111.19086   -62.96696
   79    63 S   OS   _O35    73     1.36340   124.30417  -179.77971
  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  10   5   4   3
  16   8   2   1   1  13   7  14   6   5   3   1  19   8  19  14
   8  18  10   5   4   8   3  10   4   5   1   1   1   1   9  10
  12   6   5   5   3   2   1   2   1   1   3   2   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    54    55    61    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    47    50    58    54    55    61    62    43    44  
   38    39    40    47    54    55    61    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    47    48    54    55    61    43    44  
   40    41    42    45    54    43    44  
   41    42    45    46    47    50    72    48    49    51    58    54    43    44  
   42    45    46    47    48    43  
   45    46    47    48    43  
   44    45    54  
    0  
   46    47    50    56    67    72    73    74    48    49    51    52    53    58    59    60    54    55    61  
   47    50    72    48    49    51    58    54  
   50    56    57    63    65    67    72    48    49    51    52    53    58    59    60    54    55    61    62  
   49    51    52    53    58    59    60    54    50    65    67    72    73    74  
   51    52    53    58    67    72    73    74  
   56    57    63    64    65    67    72    73    74    51    58    59    60    68    79    54    55    61  
   52    53    58    59    60    54    67    72    73    74  
   53    58    59    60    72  
   58    59    60    72  
   55    61    62    56    58    59    60    67  
   61    62    58  
   57    63    64    65    67    72    58    66    69    79  
   63    64    67    79  
   59    60    61    67    72  
   60  
    0  
   62  
    0  
   64    65    67    68    66    69    70    71    79  
   65    67    72    68    75    66    69    70    71    79  
   67    72    73    74    68    75    76    77    78    66    69    79  
   69    70    71    79    67    68  
   72    73    74    68    75  
   75    76    77    78    72  
   70    71    79  
   71    79  
   79  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   49   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   367.000  1.471
   47    50   317.000  1.510
   47    58   268.000  1.529
   47    54   268.000  1.529
   50    56   469.000  1.400
   50    67   469.000  1.400
   56    57   367.000  1.080
   56    63   469.000  1.400
   63    64   469.000  1.400
   63    79   450.000  1.364
   64    65   469.000  1.400
   64    66   450.000  1.364
   65    67   469.000  1.400
   65    68   450.000  1.364
   67    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    48   367.000  1.471
   48    49   434.000  1.010
   48    51   367.000  1.471
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   68    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   66    69   320.000  1.380
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    79   320.000  1.380
   54    55   340.000  1.090
   54    61   320.000  1.410
   61    62   553.000  0.945
   43    44   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    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    50.00000  109.50000
   33    54    47    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    47    58.35000  112.70000
   40    45    48    80.00000  111.20000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    47    50    70.00000  112.17500
   45    47    58    58.35000  112.70000
   45    47    54    58.35000  112.70000
   45    48    72    75.00000  113.01200
   45    48    49    35.00000  109.50000
   45    48    51    75.00000  113.01200
   47    45    46    37.50000  110.70000
   47    50    56    70.00000  120.00000
   47    50    67    70.00000  120.00000
   47    58    51    58.35000  112.70000
   47    58    59    37.50000  110.70000
   47    58    60    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    61    50.00000  109.50000
   50    56    57    35.00000  120.00000
   50    56    63    63.00000  120.00000
   50    67    65    63.00000  120.00000
   50    67    72    70.00000  120.00000
   56    63    64    63.00000  120.00000
   56    63    79    70.00000  120.00000
   63    56    57    35.00000  120.00000
   63    64    65    63.00000  120.00000
   63    64    66    70.00000  120.00000
   63    79    69   100.00000  112.36700
   64    65    67    63.00000  120.00000
   64    65    68    70.00000  120.00000
   64    66    69   100.00000  112.36700
   65    67    72    70.00000  120.00000
   65    68    75    75.00000  111.00000
   67    50    56    63.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    48    75.00000  110.83300
   72    48    49    35.00000  109.50000
   72    48    51    75.00000  113.01200
   74    72    73    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    80.00000  111.20000
   48    72    73    35.00000  109.50000
   48    72    74    35.00000  109.50000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    58    80.00000  111.20000
   51    48    49    35.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   53    51    52    33.00000  107.80000
   58    47    50    70.00000  112.17500
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   60    58    59    33.00000  107.80000
   68    65    67    70.00000  120.00000
   68    75    76    35.00000  109.50000
   68    75    77    35.00000  109.50000
   68    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   66    64    65    70.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    79    92.60000  111.55000
   71    69    70    33.00000  109.50000
   79    63    64    70.00000  120.00000
   79    69    70    35.00000  109.50000
   79    69    71    35.00000  109.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    47    50    70.00000  112.17500
   54    47    58    58.35000  112.70000
   54    61    62    55.00000  108.50000
   61    54    55    35.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    54    47   0.44750  1.0 1.0
   29    33    54    47  -0.17800 -1.0 2.0
   29    33    54    47   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    61   0.56750  1.0 1.0
   29    33    54    61  -0.07550 -1.0 2.0
   29    33    54    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44  -0.11600  1.0 1.0
   33    38    43    44  -0.09450 -1.0 2.0
   33    38    43    44   0.21250  1.0 3.0
   33    54    61    62  -0.11600  1.0 1.0
   33    54    61    62  -0.09450 -1.0 2.0
   33    54    61    62   0.21250  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    43   0.23400  1.0 3.0
   34    33    54    47   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    61   0.23400  1.0 3.0
   38    33    54    47   0.56750  1.0 1.0
   38    33    54    47  -0.07550 -1.0 2.0
   38    33    54    47   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    61   0.86500  1.0 1.0
   38    33    54    61  -0.17500 -1.0 2.0
   38    33    54    61   0.20800  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40   -45    47   0.56750  1.0 1.0
   38    40   -45    47  -0.07550 -1.0 2.0
   38    40   -45    47   0.20000  1.0 3.0
   38    40    45    48   1.36600  1.0 1.0
   38    40    45    48  -0.11450 -1.0 2.0
   38    40    45    48   0.24250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.19450  1.0 3.0
   40    38    43    44  -0.11600  1.0 1.0
   40    38    43    44  -0.09450 -1.0 2.0
   40    38    43    44   0.21250  1.0 3.0
   40    45    47    50  -0.03700  1.0 1.0
   40    45    47    50   0.37200 -1.0 2.0
   40    45    47    50  -0.47300  1.0 3.0
   40    45    47    58   0.56750  1.0 1.0
   40    45    47    58  -0.07550 -1.0 2.0
   40    45    47    58   0.20000  1.0 3.0
   40    45    47    54   0.56750  1.0 1.0
   40    45    47    54  -0.07550 -1.0 2.0
   40    45    47    54   0.20000  1.0 3.0
   40    45    48    72   0.47100  1.0 1.0
   40    45    48    49   0.17350  1.0 3.0
   40    45    48    51   0.47100  1.0 1.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.19200  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    48   0.19200  1.0 3.0
   45    47    50    56   0.04150 -1.0 2.0
   45    47    50    67   0.04150 -1.0 2.0
   45    47   -58    51   0.56750  1.0 1.0
   45    47   -58    51  -0.07550 -1.0 2.0
   45    47   -58    51   0.20000  1.0 3.0
   45    47    58    59   0.15000  1.0 3.0
   45    47    58    60   0.15000  1.0 3.0
   45    47   -54    33   0.56750  1.0 1.0
   45    47   -54    33  -0.07550 -1.0 2.0
   45    47   -54    33   0.20000  1.0 3.0
   45    47    54    55   0.15000  1.0 3.0
   45    47    54    61   0.86500  1.0 1.0
   45    47    54    61  -0.17500 -1.0 2.0
   45    47    54    61   0.20800  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.15000  1.0 3.0
   45    48   -51    58   0.47100  1.0 1.0
   46    45    47    50   0.43200  1.0 3.0
   46    45    47    58   0.15000  1.0 3.0
   46    45    47    54   0.15000  1.0 3.0
   46    45    48    72   0.15000  1.0 3.0
   46    45    48    49   0.13050  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    72   0.47100  1.0 1.0
   47    45    48    49   0.17350  1.0 3.0
   47    45   -48    51   0.47100  1.0 1.0
   47    50    56    57   3.62500 -1.0 2.0
   47    50    56    63   3.62500 -1.0 2.0
   47    50    67    65   3.62500 -1.0 2.0
   47    50   -67    72   3.62500 -1.0 2.0
   47    54    61    62  -0.11600  1.0 1.0
   47    54    61    62  -0.09450 -1.0 2.0
   47    54    61    62   0.21250  1.0 3.0
   50    47    58    51  -0.03700  1.0 1.0
   50    47    58    51   0.37200 -1.0 2.0
   50    47    58    51  -0.47300  1.0 3.0
   50    47    58    59   0.43200  1.0 3.0
   50    47    58    60   0.43200  1.0 3.0
   50    47    54    33  -0.03700  1.0 1.0
   50    47    54    33   0.37200 -1.0 2.0
   50    47    54    33  -0.47300  1.0 3.0
   50    47    54    55   0.43200  1.0 3.0
   50    47    54    61   1.13150  1.0 1.0
   50    47    54    61  -1.01400 -1.0 2.0
   50    56    63    64   3.62500 -1.0 2.0
   50    56    63    79   3.62500 -1.0 2.0
   50    67    72    73   0.00000  1.0 1.0
   50    67    72    74   0.00000  1.0 1.0
   50    67    72    48  -0.46400 -1.0 2.0
   56    50    67    65   3.62500 -1.0 2.0
   56    50    67    72   3.62500 -1.0 2.0
   56    63   -64    65   3.62500 -1.0 2.0
   56    63    64    66   3.62500 -1.0 2.0
   56    63    79    69   1.63200 -1.0 2.0
   57    56    63    64   3.62500 -1.0 2.0
   57    56    63    79   3.62500 -1.0 2.0
   63    64    65    67   3.62500 -1.0 2.0
   63    64    65    68   3.62500 -1.0 2.0
   63    64   -66    69   1.63200 -1.0 2.0
   64    63   -79    69   1.63200 -1.0 2.0
   64    65   -67    50   3.62500 -1.0 2.0
   64    65    67    72   3.62500 -1.0 2.0
   64    65    68    75   1.63200 -1.0 2.0
   64    66    69    70   0.08050  1.0 3.0
   64    66    69    71   0.08050  1.0 3.0
   64    66   -69    79  -0.25600  1.0 1.0
   64    66   -69    79  -0.40050 -1.0 2.0
   64    66   -69    79   0.34700  1.0 3.0
   65    64    66    69   1.63200 -1.0 2.0
   65    67    72    73   0.00000  1.0 1.0
   65    67    72    74   0.00000  1.0 1.0
   65    67    72    48  -0.46400 -1.0 2.0
   65    68    75    76   0.08050  1.0 3.0
   65    68    75    77   0.08050  1.0 3.0
   65    68    75    78   0.08050  1.0 3.0
   67    50    56    57   3.62500 -1.0 2.0
   67    50   -56    63   3.62500 -1.0 2.0
   67    65    68    75   1.63200 -1.0 2.0
   67    72   -48    45   0.03550  1.0 1.0
   67    72   -48    45   0.09800 -1.0 2.0
   67    72    48    49   0.17350  1.0 3.0
   67    72    48    51   0.03550  1.0 1.0
   67    72    48    51   0.09800 -1.0 2.0
   72    48    51    52   0.15000  1.0 3.0
   72    48    51    53   0.15000  1.0 3.0
   72    48    51    58   0.47100  1.0 1.0
   73    72    48    45   0.15000  1.0 3.0
   73    72    48    49   0.13050  1.0 3.0
   73    72    48    51   0.15000  1.0 3.0
   74    72    48    45   0.15000  1.0 3.0
   74    72    48    49   0.13050  1.0 3.0
   74    72    48    51   0.15000  1.0 3.0
   48    45   -47    50   1.24050  1.0 1.0
   48    45   -47    50   0.48100 -1.0 2.0
   48    45   -47    50   1.08150  1.0 3.0
   48    45   -47    58   1.36600  1.0 1.0
   48    45   -47    58  -0.11450 -1.0 2.0
   48    45   -47    58   0.24250  1.0 3.0
   48    45    47    54   1.36600  1.0 1.0
   48    45    47    54  -0.11450 -1.0 2.0
   48    45    47    54   0.24250  1.0 3.0
   48    51   -58    47   1.36600  1.0 1.0
   48    51   -58    47  -0.11450 -1.0 2.0
   48    51   -58    47   0.24250  1.0 3.0
   48    51    58    59   0.19200  1.0 3.0
   48    51    58    60   0.19200  1.0 3.0
   49    48    51    52   0.13050  1.0 3.0
   49    48    51    53   0.13050  1.0 3.0
   49    48    51    58   0.17350  1.0 3.0
   52    51    58    47   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   53    51    58    47   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   58    47    50    56   0.04150 -1.0 2.0
   58    47    50    67   0.04150 -1.0 2.0
   58    47    54    33   0.56750  1.0 1.0
   58    47    54    33  -0.07550 -1.0 2.0
   58    47    54    33   0.20000  1.0 3.0
   58    47    54    55   0.15000  1.0 3.0
   58    47    54    61   0.86500  1.0 1.0
   58    47    54    61  -0.17500 -1.0 2.0
   58    47    54    61   0.20800  1.0 3.0
   68    65    67    50   3.62500 -1.0 2.0
   68    65    67    72   3.62500 -1.0 2.0
   66    64    65    67   3.62500 -1.0 2.0
   66    64    65    68   3.62500 -1.0 2.0
   66    69   -79    63  -0.25600  1.0 1.0
   66    69   -79    63  -0.40050 -1.0 2.0
   66    69   -79    63   0.34700  1.0 3.0
   70    69    79    63   0.08050  1.0 3.0
   71    69    79    63   0.08050  1.0 3.0
   79    63    64    65   3.62500 -1.0 2.0
   79    63   -64    66   3.62500 -1.0 2.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    43   0.86500  1.0 1.0
   54    33    38    43  -0.17500 -1.0 2.0
   54    33    38    43   0.20800  1.0 3.0
   54    47    50    56   0.04150 -1.0 2.0
   54    47    50    67   0.04150 -1.0 2.0
   54    47    58    51   0.56750  1.0 1.0
   54    47    58    51  -0.07550 -1.0 2.0
   54    47    58    51   0.20000  1.0 3.0
   54    47    58    59   0.15000  1.0 3.0
   54    47    58    60   0.15000  1.0 3.0
   55    54    61    62   0.19450  1.0 3.0
   43    38    40    41   0.23400  1.0 3.0
   43    38    40    42   0.23400  1.0 3.0
   43    38    40    45   0.86500  1.0 1.0
   43    38    40    45  -0.17500 -1.0 2.0
   43    38    40    45   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   56    67    50    47   4.00000 -1.0 2.0
   63    57    56    50   1.10000 -1.0 2.0
   64    79    63    56   4.00000 -1.0 2.0
   65    66    64    63   4.00000 -1.0 2.0
   67    68    65    64   4.00000 -1.0 2.0
   65    72    67    50   4.00000 -1.0 2.0
END
