* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    163    259     484
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02042   102.35219    13.71877
    3     1 S   H    _H1_     3     1.02075    40.43036   118.12772
    4     1 S   H    _H2_     4     1.02101    73.55539   -92.35708
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C21    36     1.84217    97.50821   161.83858
   34    33 S   HC   _H6_    37     1.10221    96.68251    28.48995
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C20    38     1.53581   114.38177   -79.98654
   39    38 S   HC   _H24    39     1.09393   112.09345   -80.25496
   40    38 S   CO4  _C19    40     1.52115   109.23019   158.56521
   41    40 S   O    _O35    41     1.23048   122.42693  -134.52195
   42    38 S   OS   _O36    80     1.42109   110.99054    41.10398
   43    40 S   CT   _C18    42     1.51041   116.59924    49.87927
   44    43 S   HC   _H22    43     1.09377   107.09277    75.80775
   45    43 S   HC   _H23    44     1.09709   108.30376  -168.65301
   46    42 S   CT   _C22    81     1.42140   111.57637  -161.05716
   47    46 S   HC   _H25    82     1.09248   109.52445   179.97202
   48    46 S   HC   _H26    83     1.09278   109.47320    59.20344
   49    46 S   HC   _H27    84     1.09245   108.96777   -60.39059
   50    43 S   CT   _C17    45     1.54018   111.16645   -48.47687
   51    50 S   HC   _H5_    46     1.10097   106.42282   -64.54142
   52    50 S   CT   _C16    47     1.53261   111.72957   178.51919
   53    52 S   HC   _H4_    48     1.09729   109.99650    57.80790
   54    33 S   CT   _C7_    60     1.58506   121.49450   139.42529
   55    52 S   CT   _C15    49     1.52964   111.64079   -64.24198
   56    55 S   HC   _H20    50     1.09563   111.34255  -159.49831
   57    55 S   HC   _H21    51     1.09913   107.70763    84.67028
   58    54 S   CT   _C6_    61     1.56146   109.50332   -41.44799
   59    58 S   HC   _H12    62     1.09738   110.78965    71.30725
   60    58 S   HC   _H13    63     1.09874   109.07249   -45.54721
   61    52 S   NP   _N4_    67     1.52617   107.66905   171.80631
   62    61 S   H    _H3_    68     1.02890   105.15439   -55.05279
   63    55 S   CA   _C9_    52     1.51306   115.26345   -34.21905
   64    58 S   CT   _C5_    64     1.52658   114.87951  -166.11017
   65    64 S   HC   _H10    65     1.09615   110.02191   167.64346
   66    64 S   HC   _H11    66     1.09462   112.79641   -71.42761
   67    61 S   CT   _C4_    69     1.50631   113.97090  -168.67540
   68    67 S   HC   _H7_    70     1.09080   107.81336   -65.88397
   69    67 S   HC   _H8_    71     1.09134   107.81609    54.15132
   70    67 S   HC   _H9_    72     1.09211   107.82489   174.14144
   71    63 S   CA   _C10    53     1.40786   116.63543  -176.53689
   72    71 S   HA   _H14    54     1.08768   120.12251     0.39664
   73    71 S   CA   _C11    55     1.38933   120.93513  -179.74899
   74    73 S   HA   _H15    56     1.08545   119.92254  -179.85735
   75    73 S   CA   _C12    57     1.38585   119.29263    -0.18023
   76    75 S   CA   _C13    58     1.39853   120.27026     0.35773
   77    75 S   OS   _O34    75     1.36408   118.86622  -179.21565
   78    63 S   CA   _C8_    59     1.41902   122.88488     4.74140
   79    76 S   OH   _O33    73     1.35794   114.46077  -177.87947
   80    79 S   HO   _H16    74     0.97177   110.53413   178.53406
   81    77 S   CT   _C14    76     1.42602   116.93295   -90.41530
   82    81 S   HC   _H17    77     1.09278   109.49414   180.00000
   83    81 S   HC   _H18    78     1.09309   109.52287    59.22062
   84    81 S   HC   _H19    79     1.09200   108.97769   -60.42440
  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
  19   8   2   1   1  15   6  10   5   6  11   5   4   3   2   1
   1  17   7  18   9  14  12   5   4  11   6   5   9   7   8   7
   2   1   3   2   1   1   7   4   7   3   9   5   6   2   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    78    54    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    52    63    76    78    54    58    59    60    64    42    46  
   38    39    40    50    78    54    58    42  
   36    37  
   37  
    0  
   39    40    41    43    44    45    50    78    54    58    42    46    47    48    49  
   40    41    43    54    42    46  
   41    43    44    45    50    51    52    54    42    46  
   43    44    45    50    42  
   46    47    48    49    43    54  
   44    45    50    51    52    53    55    78    54    58    61  
   45    50    51    52    54  
   50    51    52    54  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    55    56    57    63    76    78    54    58    59    60    64    61    62    67  
   52    53    55    78    54    58    61  
   53    55    56    57    63    71    78    54    58    64    65    66    61    62    67    68    69    70  
   55    56    57    63    54    64    61    62    67  
   58    59    60    64    65    66    61    79    55    63    71    75    76    78  
   56    57    63    71    72    73    76    78    64    61    62    67  
   57    63    71    78    61  
   63    71    78    61  
   59    60    64    65    66    61    62    67    63    76    78  
   60    64    65    66    61    78  
   64    65    66    61    78  
   62    67    68    69    70    63    64    65    66  
   67    68    69    70    64    65    66  
   71    72    73    74    75    76    78    79  
   65    66    67    68    69    70    78  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    78    77  
   73    74    75    78  
   74    75    76    78    79    77    81  
   75    76    77  
   76    78    79    80    77    81    82    83    84  
   78    79    80    77    81  
   81    82    83    84    78    79  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   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   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   62   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    61   367.000  1.471
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   317.000  1.510
   63    71   469.000  1.400
   63    78   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   469.000  1.400
   75    77   450.000  1.364
   76    78   469.000  1.400
   76    79   450.000  1.364
   78    54   317.000  1.510
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    61   367.000  1.471
   61    62   434.000  1.010
   61    67   367.000  1.471
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   79    80   553.000  0.945
   77    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   42    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    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    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    54    50    58.35000  112.70000
   33    54    78    70.00000  112.17500
   33    54    58    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    46    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    50    51    37.50000  110.70000
   43    50    52    58.35000  112.70000
   43    50    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    52    61    80.00000  111.20000
   50    54    78    70.00000  112.17500
   50    54    58    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    63    70.00000  112.17500
   52    61    64    75.00000  113.01200
   52    61    62    35.00000  109.50000
   52    61    67    75.00000  113.01200
   55    52    53    37.50000  110.70000
   55    63    71    70.00000  120.00000
   55    63    78    70.00000  120.00000
   57    55    56    33.00000  107.80000
   63    55    56    35.00000  109.50000
   63    55    57    35.00000  109.50000
   63    71    72    35.00000  120.00000
   63    71    73    63.00000  120.00000
   63    78    76    63.00000  120.00000
   63    78    54    70.00000  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    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    79    70.00000  120.00000
   75    77    81    75.00000  111.00000
   76    78    54    70.00000  120.00000
   76    79    80    35.00000  113.00000
   78    63    71    63.00000  120.00000
   78    54    58    70.00000  112.17500
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    64    58.35000  112.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    61    80.00000  111.20000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    61    62    35.00000  109.50000
   64    61    67    75.00000  113.01200
   66    64    65    33.00000  107.80000
   61    52    53    35.00000  109.50000
   61    52    55    80.00000  111.20000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    70    35.00000  109.50000
   67    61    62    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
   79    76    78    70.00000  120.00000
   77    75    76    70.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.32350  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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    50   0.44750  1.0 1.0
   29    33    54    50  -0.17800 -1.0 2.0
   29    33    54    50   0.20200  1.0 3.0
   29    33    54    78   0.56750  1.0 1.0
   29    33    54    78  -0.07550 -1.0 2.0
   29    33    54    78   0.20000  1.0 3.0
   29    33    54    58   0.44750  1.0 1.0
   29    33    54    58  -0.17800 -1.0 2.0
   29    33    54    58   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.60050  1.0 1.0
   33    38    40    43   0.05600 -1.0 2.0
   33    38    40    43   0.26150  1.0 3.0
   33    38    42    46   0.06250  1.0 1.0
   33    38    42    46  -0.01100 -1.0 2.0
   33    38    42    46   0.28050  1.0 3.0
   33    54    58    59   0.15000  1.0 3.0
   33    54    58    60   0.15000  1.0 3.0
   33    54    58    64   0.56750  1.0 1.0
   33    54    58    64  -0.07550 -1.0 2.0
   33    54    58    64   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    50   0.15000  1.0 3.0
   34    33    54    78   0.43200  1.0 3.0
   34    33    54    58   0.15000  1.0 3.0
   38    33    54    50   0.56750  1.0 1.0
   38    33    54    50  -0.07550 -1.0 2.0
   38    33    54    50   0.20000  1.0 3.0
   38    33    54    78  -0.03700  1.0 1.0
   38    33    54    78   0.37200 -1.0 2.0
   38    33    54    78  -0.47300  1.0 3.0
   38    33    54    58   0.56750  1.0 1.0
   38    33    54    58  -0.07550 -1.0 2.0
   38    33    54    58   0.20000  1.0 3.0
   38    40    43    44   0.00000  1.0 1.0
   38    40    43    45   0.00000  1.0 1.0
   38    40   -43    50   0.60050  1.0 1.0
   38    40   -43    50   0.05600 -1.0 2.0
   38    40   -43    50   0.26150  1.0 3.0
   38    42    46    47   0.37050  1.0 3.0
   38    42    46    48   0.37050  1.0 3.0
   38    42    46    49   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    46   0.37050  1.0 3.0
   40    38    42    46  -1.11000  1.0 1.0
   40    38    42    46   0.50250 -1.0 2.0
   40    38    42    46   0.47450  1.0 3.0
   40    43    50    51  -0.11250  1.0 3.0
   40    43    50    52  -0.95700  1.0 1.0
   40    43    50    52  -0.18200 -1.0 2.0
   40    43    50    52   0.29450  1.0 3.0
   40    43    50    54  -0.95700  1.0 1.0
   40    43    50    54  -0.18200 -1.0 2.0
   40    43    50    54   0.29450  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   41    40    43    50   0.30150 -1.0 2.0
   43    50    52    53   0.15000  1.0 3.0
   43    50    52    55   0.56750  1.0 1.0
   43    50    52    55  -0.07550 -1.0 2.0
   43    50    52    55   0.20000  1.0 3.0
   43    50    52    61   1.36600  1.0 1.0
   43    50    52    61  -0.11450 -1.0 2.0
   43    50    52    61   0.24250  1.0 3.0
   43    50   -54    33   0.56750  1.0 1.0
   43    50   -54    33  -0.07550 -1.0 2.0
   43    50   -54    33   0.20000  1.0 3.0
   43    50    54    78  -0.03700  1.0 1.0
   43    50    54    78   0.37200 -1.0 2.0
   43    50    54    78  -0.47300  1.0 3.0
   43    50    54    58   0.56750  1.0 1.0
   43    50    54    58  -0.07550 -1.0 2.0
   43    50    54    58   0.20000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    54   0.15000  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   45    43    50    54   0.15000  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52    55    63  -0.03700  1.0 1.0
   50    52    55    63   0.37200 -1.0 2.0
   50    52    55    63  -0.47300  1.0 3.0
   50    52    61    64   0.47100  1.0 1.0
   50    52    61    62   0.17350  1.0 3.0
   50    52    61    67   0.47100  1.0 1.0
   50    54    58    59   0.15000  1.0 3.0
   50    54    58    60   0.15000  1.0 3.0
   50    54   -58    64   0.56750  1.0 1.0
   50    54   -58    64  -0.07550 -1.0 2.0
   50    54   -58    64   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    61   0.19200  1.0 3.0
   51    50    54    33   0.15000  1.0 3.0
   51    50    54    78   0.43200  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   52    50    54    33   0.56750  1.0 1.0
   52    50    54    33  -0.07550 -1.0 2.0
   52    50    54    33   0.20000  1.0 3.0
   52    50    54    78  -0.03700  1.0 1.0
   52    50    54    78   0.37200 -1.0 2.0
   52    50    54    78  -0.47300  1.0 3.0
   52    50    54    58   0.56750  1.0 1.0
   52    50    54    58  -0.07550 -1.0 2.0
   52    50    54    58   0.20000  1.0 3.0
   52    55    63    71   0.04150 -1.0 2.0
   52    55   -63    78   0.04150 -1.0 2.0
   52    61    67    68   0.15000  1.0 3.0
   52    61    67    69   0.15000  1.0 3.0
   52    61    67    70   0.15000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    63   0.43200  1.0 3.0
   53    52    61    64   0.15000  1.0 3.0
   53    52    61    62   0.13050  1.0 3.0
   53    52    61    67   0.15000  1.0 3.0
   55    52    61    64   0.47100  1.0 1.0
   55    52    61    62   0.17350  1.0 3.0
   55    52    61    67   0.47100  1.0 1.0
   55    63    71    72   3.62500 -1.0 2.0
   55    63    71    73   3.62500 -1.0 2.0
   55    63    78    76   3.62500 -1.0 2.0
   55    63    78    54   3.62500 -1.0 2.0
   56    55    63    71   0.00000  1.0 1.0
   56    55    63    78   0.00000  1.0 1.0
   57    55    63    71   0.00000  1.0 1.0
   57    55    63    78   0.00000  1.0 1.0
   63    71    73    74   3.62500 -1.0 2.0
   63    71    73    75   3.62500 -1.0 2.0
   63    78    54    33   0.04150 -1.0 2.0
   63    78   -54    50   0.04150 -1.0 2.0
   63    78    54    58   0.04150 -1.0 2.0
   71    63    78    76   3.62500 -1.0 2.0
   71    63    78    54   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    77   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    78   3.62500 -1.0 2.0
   73    75    76    79   3.62500 -1.0 2.0
   73    75    77    81   1.63200 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76   -78    63   3.62500 -1.0 2.0
   75    76    78    54   3.62500 -1.0 2.0
   75    76    79    80   0.84100 -1.0 2.0
   75    77    81    82   0.08050  1.0 3.0
   75    77    81    83   0.08050  1.0 3.0
   75    77    81    84   0.08050  1.0 3.0
   76    75    77    81   1.63200 -1.0 2.0
   76    78    54    33   0.04150 -1.0 2.0
   76    78    54    50   0.04150 -1.0 2.0
   76    78    54    58   0.04150 -1.0 2.0
   78    63    71    72   3.62500 -1.0 2.0
   78    63   -71    73   3.62500 -1.0 2.0
   78    76    79    80   0.84100 -1.0 2.0
   78    54    58    59   0.43200  1.0 3.0
   78    54    58    60   0.43200  1.0 3.0
   78    54    58    64  -0.03700  1.0 1.0
   78    54    58    64   0.37200 -1.0 2.0
   78    54    58    64  -0.47300  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40  -0.95700  1.0 1.0
   54    33   -38    40  -0.18200 -1.0 2.0
   54    33   -38    40   0.29450  1.0 3.0
   54    33    38    42   0.62750  1.0 1.0
   54    33    38    42  -0.30950 -1.0 2.0
   54    33    38    42   0.27300  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50   -52    55   0.56750  1.0 1.0
   54    50   -52    55  -0.07550 -1.0 2.0
   54    50   -52    55   0.20000  1.0 3.0
   54    50    52    61   1.36600  1.0 1.0
   54    50    52    61  -0.11450 -1.0 2.0
   54    50    52    61   0.24250  1.0 3.0
   54    58    64    65   0.15000  1.0 3.0
   54    58    64    66   0.15000  1.0 3.0
   54    58   -64    61   1.36600  1.0 1.0
   54    58   -64    61  -0.11450 -1.0 2.0
   54    58   -64    61   0.24250  1.0 3.0
   58    64   -61    52   0.47100  1.0 1.0
   58    64    61    62   0.17350  1.0 3.0
   58    64    61    67   0.47100  1.0 1.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    61   0.19200  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    61   0.19200  1.0 3.0
   64    61    67    68   0.15000  1.0 3.0
   64    61    67    69   0.15000  1.0 3.0
   64    61    67    70   0.15000  1.0 3.0
   65    64    61    52   0.15000  1.0 3.0
   65    64    61    62   0.13050  1.0 3.0
   65    64    61    67   0.15000  1.0 3.0
   66    64    61    52   0.15000  1.0 3.0
   66    64    61    62   0.13050  1.0 3.0
   66    64    61    67   0.15000  1.0 3.0
   61    52    55    56   0.19200  1.0 3.0
   61    52    55    57   0.19200  1.0 3.0
   61    52    55    63   1.24050  1.0 1.0
   61    52    55    63   0.48100 -1.0 2.0
   61    52    55    63   1.08150  1.0 3.0
   62    61    67    68   0.13050  1.0 3.0
   62    61    67    69   0.13050  1.0 3.0
   62    61    67    70   0.13050  1.0 3.0
   79    76    78    63   3.62500 -1.0 2.0
   79    76    78    54   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    79   3.62500 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  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
   38    43    40    41  10.50000 -1.0 2.0
   71    78    63    55   4.00000 -1.0 2.0
   73    72    71    63   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   78    79    76    75   4.00000 -1.0 2.0
   76    54    78    63   4.00000 -1.0 2.0
END
