* LIGAND DATABASE FILE (OPLS2005)
*
001      94    95    171    249     494
    1     0 S   NP   _N1_     1    29.45660    91.07429   -19.68971
    2     1 S   H    _HN1     2     1.02957   113.41516    35.15302
    3     1 S   H    _H1_     3     1.02837    23.21921   113.69241
    4     1 S   H    _H2_     4     1.02780    84.79990   -72.56095
    5     1 S   CT   _CA1     5     1.50112   124.13767   174.04313
    6     5 S   HC   _HA1     6     1.09566   105.29221    37.78251
    7     5 S   CO3  _C1_     7     1.53903   112.29617   -82.57602
    8     7 S   O2Z  _O11     8     1.26373   115.03359   -44.67828
    9     7 S   O2Z  _O12     9     1.26241   114.95461   134.53198
   10     5 S   CT   _CB1    10     1.53102   107.42759   155.81497
   11    10 S   HC   HB11    11     1.09815   109.63204   -49.29448
   12    10 S   HC   HB12    12     1.09839   110.26393    67.32500
   13    10 S   CT   _CG1    13     1.53011   112.58369  -170.40083
   14    13 S   HC   HG11    14     1.09477   110.20095   -57.05502
   15    13 S   HC   HG12    15     1.09604   110.28803    62.06146
   16    13 S   C    _CD1    16     1.51752   112.02948  -177.59833
   17    16 S   O    _OE1    17     1.22745   123.07406   -16.81710
   18    16 S   N    _N2_    18     1.38594   111.78972   163.67735
   19    18 S   H    _HN2    19     1.01573   119.07386     2.06659
   20    18 S   CT1  _CA2    20     1.46251   123.35473  -175.09432
   21    20 S   HC   _HA2    21     1.09723   109.38811   -15.64663
   22    20 S   C    _C2_    22     1.53326   108.40283  -131.64471
   23    22 S   O    _O2_    23     1.23010   122.25250  -145.56431
   24    20 S   CT   _CB2    32     1.53555   111.08064   106.31829
   25    24 S   HC   HB21    33     1.09431   109.35854    56.97809
   26    24 S   HC   HB22    34     1.09508   110.71788   175.34642
   27    22 S   N    _N3_    24     1.38509   113.32552    41.76656
   28    27 S   H    _HN3    25     1.01536   118.90115    -0.54429
   29    24 S   S    _SG2    35     1.82810   111.53025   -65.12637
   30    27 S   CT   _CA3    26     1.45443   123.40456   175.17976
   31    30 S   HC   HA31    27     1.09527   109.18277    25.38851
   32    30 S   HC   HA32    28     1.09495   107.13507   142.37533
   33    29 S   CT   _C19    36     1.83760   100.23028   155.50751
   34    33 S   HC   _H6_    37     1.09615   105.76722    55.85247
   35    30 S   CO3  _C3_    29     1.52926   113.15402   -98.05621
   36    35 S   O2Z  _O31    30     1.26400   115.41939   -44.46704
   37    35 S   O2Z  _O32    31     1.26358   114.97674   136.48420
   38    33 S   CT   _C20    38     1.52589   108.11836   170.52236
   39    38 S   HC   _H24    39     1.09355   111.72152    68.05929
   40    38 S   HC   _H25    40     1.09723   110.78436   -52.30789
   41    38 S   CO4  _C21    41     1.51791   110.06760  -170.69346
   42    41 S   O    _O37    42     1.23273   119.92099   137.45891
   43    41 S   CT   _C16    43     1.54345   118.15895   -42.08989
   44    43 S   CT   _C17    44     1.55036   108.23486   -13.04892
   45    44 S   HC   _H22    45     1.09477   110.02157   -69.12970
   46    44 S   HC   _H23    46     1.09702   109.62082   175.84320
   47    43 S   CT   _C23    54     1.57023   106.30223   103.48824
   48    47 S   HC   _H29    55     1.09533   110.08983   -57.54143
   49    47 S   HC   _H30    56     1.09699   109.77047  -171.78881
   50    43 S   CT   _C5_    62     1.59667   110.30045  -134.31028
   51    50 S   HC   _H3_    63     1.09872   107.99247   -50.62563
   52    33 S   CT   _C18    47     1.55183   115.29776   -64.15725
   53    52 S   HC   _H5_    48     1.09788   107.76269    91.21472
   54    47 S   CM   _C24    57     1.50709   116.05816    65.39266
   55    54 S   HC   _H31    58     1.08626   118.01734    63.78215
   56    50 S   CT   _C4_    64     1.54914   111.75227  -166.32275
   57    56 S   HC   _H7_    65     1.09448   111.28168   -66.61162
   58    56 S   HC   _H8_    66     1.09166   112.78772    55.19679
   59    56 S   HC   _H9_    67     1.09486   111.29304   173.13833
   60    50 S   CT   _C6_    68     1.57165   116.40779    69.54252
   61    60 S   HC   _H4_    69     1.09635   109.37684    65.27562
   62    52 S   OS   _O38    49     1.43758   110.27045   -27.37259
   63    54 S   CM   _C25    59     1.33843   123.88453  -117.21323
   64    63 S   HC   _H32    60     1.08475   120.44724  -179.62102
   65    63 S   HC   _H33    61     1.08446   121.68876     0.70886
   66    60 S   CA   _C7_    70     1.51236   117.15496   -59.90342
   67    60 S   OH   _O36    93     1.43586   109.83255  -179.40291
   68    67 S   HO   _H21    94     0.97205   107.68534   -83.67595
   69    62 S   CT   _C22    50     1.42159   113.70841   159.83262
   70    69 S   HC   _H26    51     1.09294   108.22134  -177.65582
   71    69 S   HC   _H27    52     1.09300   111.17356    63.76315
   72    69 S   HC   _H28    53     1.09404   110.50830   -59.07587
   73    66 S   CA   _C8_    71     1.40531   119.79836   118.90583
   74    73 S   HA   _H10    72     1.08631   118.36004    -0.66205
   75    73 S   CA   _C9_    73     1.39695   120.94907  -179.96044
   76    75 S   CA   _C10    74     1.40283   118.77744    -2.28088
   77    75 S   OS   _O35    88     1.37099   124.94425   177.76480
   78    76 S   CA   _C11    75     1.40335   121.38326     2.56376
   79    76 S   OS   _O34    83     1.37709   119.27110   178.70820
   80    77 S   CT   _C15    89     1.42318   117.09442    -7.74372
   81    80 S   HC   _H18    90     1.09431   107.71690  -175.25179
   82    80 S   HC   _H19    91     1.09475   110.96006    67.12713
   83    80 S   HC   _H20    92     1.09540   111.33342   -57.44857
   84    66 S   CA   _C12    76     1.40528   121.06482   -62.72693
   85    84 S   HA   _H11    77     1.08630   118.07781     0.87826
   86    78 S   OS   _O33    78     1.37102   116.14356   177.87597
   87    79 S   CT   _C14    84     1.42828   110.03757    91.51343
   88    87 S   HC   _H15    85     1.09407   107.77927   179.76179
   89    87 S   HC   _H16    86     1.09544   111.33395    61.49233
   90    87 S   HC   _H17    87     1.09540   111.33613   -61.97132
   91    86 S   CT   _C13    79     1.42234   117.09850  -175.52368
   92    91 S   HC   _H12    80     1.09428   107.73280   177.23558
   93    91 S   HC   _H13    81     1.09514   111.25048    59.45568
   94    91 S   HC   _H14    82     1.09487   111.04618   -65.11844
  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
  14   8   2   1   1  11   5   4  14   4  22  14   6   5  12   5
   4  14   8   6   2   4   3   7   3   2   1  10   5   4   2   1
   1  11   3   1   3   2   1   1   9   4  11  12   6   9   6   3
   2   1   1   3   1   4   3   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    52    53    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    52    53    62    69  
   38    39    40    41    44    52    53    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    52    53    62    47    50  
   40    41    42    43    52  
   41    42    43    52  
   42    43    44    45    46    52    47    48    49    54    50    51    56    60  
   43    44    47    50  
   44    45    46    52    53    62    47    48    49    54    55    63    50    51    56    57    58    59    60    61    66    67  
   45    46    52    53    62    69    47    48    49    54    50    51    56    60  
   46    52    53    62    47    50  
   52    53    62    47    50  
   48    49    54    55    63    64    65    50    51    56    60    52  
   49    54    55    63    50  
   54    55    63    50  
   51    56    57    58    59    60    61    66    73    84    67    68    52    54  
   56    57    58    59    60    61    66    67  
   53    62    69    70    71    72  
   62    69  
   55    63    64    65  
   63    64    65  
   57    58    59    60    61    66    67  
   58    59    60  
   59    60  
   60  
   61    66    73    74    75    78    84    85    67    68  
   66    73    84    67    68  
   69    70    71    72  
   64    65  
   65  
    0  
   73    74    75    76    78    84    85    86    77    67    68  
   68    73    84  
    0  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    78    84    85    79    77    80  
   75    76    84    77  
   76    78    84    86    79    87    77    80    81    82    83  
   78    84    85    86    91    79    87    88    89    90    77    80  
   80    81    82    83    78    79  
   84    85    86    91    92    93    94    79    87  
   87    88    89    90    84    86  
   81    82    83  
   82    83  
   83  
    0  
   85    86    91  
   86  
   91    92    93    94  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94  
   93    94  
   94  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   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   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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   0.085000   2.5000   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   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    52   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    47   268.000  1.529
   43    50   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    62   320.000  1.410
   62    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   317.000  1.510
   54    55   340.000  1.080
   54    63   549.000  1.340
   63    64   340.000  1.080
   63    65   340.000  1.080
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    60   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    66   317.000  1.510
   60    67   320.000  1.410
   66    73   469.000  1.400
   66    84   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    84   469.000  1.400
   78    86   450.000  1.364
   84    85   367.000  1.080
   86    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   79    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   77    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   67    68   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    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    52    44    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    47    63.00000  111.10000
   41    43    50    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    54    70.00000  112.02700
   43    50    51    37.50000  110.70000
   43    50    56    58.35000  112.70000
   43    50    60    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    62    50.00000  109.50000
   46    44    45    33.00000  107.80000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    44    46    37.50000  110.70000
   52    62    69    60.00000  109.50000
   62    52    53    35.00000  109.50000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    54    55    35.00000  117.00000
   47    54    63    70.00000  124.00000
   49    47    48    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    49    35.00000  109.50000
   54    63    64    35.00000  120.00000
   54    63    65    35.00000  120.00000
   63    54    55    35.00000  120.00000
   65    63    64    35.00000  117.00000
   50    43    44    58.35000  112.70000
   50    43    47    58.35000  112.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    37.50000  110.70000
   50    60    61    37.50000  110.70000
   50    60    66    70.00000  112.17500
   50    60    67    50.00000  109.50000
   56    50    51    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    50    51    37.50000  110.70000
   60    50    56    58.35000  112.70000
   60    66    73    70.00000  120.00000
   60    66    84    70.00000  120.00000
   60    67    68    55.00000  108.50000
   66    60    61    35.00000  109.50000
   66    73    74    35.00000  120.00000
   66    73    75    63.00000  120.00000
   66    84    78    63.00000  120.00000
   66    84    85    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    80    75.00000  111.00000
   76    78    84    63.00000  120.00000
   76    78    86    70.00000  120.00000
   76    79    87    75.00000  111.00000
   78    84    85    35.00000  120.00000
   78    86    91    75.00000  111.00000
   84    66    73    63.00000  120.00000
   86    78    84    70.00000  120.00000
   86    91    92    35.00000  109.50000
   86    91    93    35.00000  109.50000
   86    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   79    76    78    70.00000  120.00000
   79    87    88    35.00000  109.50000
   79    87    89    35.00000  109.50000
   79    87    90    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   77    75    76    70.00000  120.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   67    60    61    35.00000  109.50000
   67    60    66    90.00000  112.51600
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    52    44   0.44750  1.0 1.0
   29    33    52    44  -0.17800 -1.0 2.0
   29    33    52    44   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    62   0.56750  1.0 1.0
   29    33    52    62  -0.07550 -1.0 2.0
   29    33    52    62   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    52    62    69   0.06250  1.0 1.0
   33    52    62    69  -0.01100 -1.0 2.0
   33    52    62    69   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    52    44   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    62   0.23400  1.0 3.0
   38    33    52    44   0.56750  1.0 1.0
   38    33    52    44  -0.07550 -1.0 2.0
   38    33    52    44   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    62   0.62750  1.0 1.0
   38    33    52    62  -0.30950 -1.0 2.0
   38    33    52    62   0.27300  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    47   0.60050  1.0 1.0
   38    41    43    47   0.05600 -1.0 2.0
   38    41    43    47   0.26150  1.0 3.0
   38    41    43    50   0.60050  1.0 1.0
   38    41    43    50   0.05600 -1.0 2.0
   38    41    43    50   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    46  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    47    48  -0.11250  1.0 3.0
   41    43    47    49  -0.11250  1.0 3.0
   41    43    47    54  -0.98800  1.0 1.0
   41    43    47    54   0.48800 -1.0 2.0
   41    43    47    54   0.76800  1.0 3.0
   41    43    50    51  -0.11250  1.0 3.0
   41    43    50    56  -0.95700  1.0 1.0
   41    43    50    56  -0.18200 -1.0 2.0
   41    43    50    56   0.29450  1.0 3.0
   41    43    50    60  -0.95700  1.0 1.0
   41    43    50    60  -0.18200 -1.0 2.0
   41    43    50    60   0.29450  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   42    41    43    50   0.30150 -1.0 2.0
   43    44   -52    33   0.56750  1.0 1.0
   43    44   -52    33  -0.07550 -1.0 2.0
   43    44   -52    33   0.20000  1.0 3.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    62   0.62750  1.0 1.0
   43    44    52    62  -0.30950 -1.0 2.0
   43    44    52    62   0.27300  1.0 3.0
   43    47    54    55   0.00000  1.0 1.0
   43    47    54    63   0.09850  1.0 1.0
   43    47    54    63   0.15250 -1.0 2.0
   43    47    54    63  -0.50650  1.0 3.0
   43    50    56    57   0.15000  1.0 3.0
   43    50    56    58   0.15000  1.0 3.0
   43    50    56    59   0.15000  1.0 3.0
   43    50    60    61   0.15000  1.0 3.0
   43    50    60    66  -0.03700  1.0 1.0
   43    50    60    66   0.37200 -1.0 2.0
   43    50    60    66  -0.47300  1.0 3.0
   43    50    60    67   0.86500  1.0 1.0
   43    50    60    67  -0.17500 -1.0 2.0
   43    50    60    67   0.20800  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    54   0.34400  1.0 1.0
   44    43    47    54   0.09450 -1.0 2.0
   44    43    47    54   0.11100  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    56   0.56750  1.0 1.0
   44    43    50    56  -0.07550 -1.0 2.0
   44    43    50    56   0.20000  1.0 3.0
   44    43    50    60   0.56750  1.0 1.0
   44    43    50    60  -0.07550 -1.0 2.0
   44    43    50    60   0.20000  1.0 3.0
   44    52    62    69   0.06250  1.0 1.0
   44    52    62    69  -0.01100 -1.0 2.0
   44    52    62    69   0.28050  1.0 3.0
   45    44    52    33   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    62   0.23400  1.0 3.0
   46    44    52    33   0.15000  1.0 3.0
   46    44    52    53   0.15000  1.0 3.0
   46    44    52    62   0.23400  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33   -38    41  -0.95700  1.0 1.0
   52    33   -38    41  -0.18200 -1.0 2.0
   52    33   -38    41   0.29450  1.0 3.0
   52    62    69    70   0.37050  1.0 3.0
   52    62    69    71   0.37050  1.0 3.0
   52    62    69    72   0.37050  1.0 3.0
   53    52    62    69   0.37050  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43    44    52   0.56750  1.0 1.0
   47    43    44    52  -0.07550 -1.0 2.0
   47    43    44    52   0.20000  1.0 3.0
   47    43    50    51   0.15000  1.0 3.0
   47    43    50    56   0.56750  1.0 1.0
   47    43    50    56  -0.07550 -1.0 2.0
   47    43    50    56   0.20000  1.0 3.0
   47    43    50    60   0.56750  1.0 1.0
   47    43    50    60  -0.07550 -1.0 2.0
   47    43    50    60   0.20000  1.0 3.0
   47    54    63    64   7.00000 -1.0 2.0
   47    54    63    65   7.00000 -1.0 2.0
   48    47    54    55   0.33100  1.0 3.0
   48    47    54    63   0.00000  1.0 1.0
   49    47    54    55   0.33100  1.0 3.0
   49    47    54    63   0.00000  1.0 1.0
   55    54    63    64   7.00000 -1.0 2.0
   55    54    63    65   7.00000 -1.0 2.0
   50    43    44    45   0.15000  1.0 3.0
   50    43    44    46   0.15000  1.0 3.0
   50    43    44    52   0.56750  1.0 1.0
   50    43    44    52  -0.07550 -1.0 2.0
   50    43    44    52   0.20000  1.0 3.0
   50    43    47    48   0.15000  1.0 3.0
   50    43    47    49   0.15000  1.0 3.0
   50    43    47    54   0.34400  1.0 1.0
   50    43    47    54   0.09450 -1.0 2.0
   50    43    47    54   0.11100  1.0 3.0
   50    60    66    73   0.04150 -1.0 2.0
   50    60    66    84   0.04150 -1.0 2.0
   50    60    67    68  -0.11600  1.0 1.0
   50    60    67    68  -0.09450 -1.0 2.0
   50    60    67    68   0.21250  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   51    50    60    61   0.15000  1.0 3.0
   51    50    60    66   0.43200  1.0 3.0
   51    50    60    67   0.23400  1.0 3.0
   56    50    60    61   0.15000  1.0 3.0
   56    50    60    66  -0.03700  1.0 1.0
   56    50    60    66   0.37200 -1.0 2.0
   56    50    60    66  -0.47300  1.0 3.0
   56    50    60    67   0.86500  1.0 1.0
   56    50    60    67  -0.17500 -1.0 2.0
   56    50    60    67   0.20800  1.0 3.0
   60    50    56    57   0.15000  1.0 3.0
   60    50    56    58   0.15000  1.0 3.0
   60    50    56    59   0.15000  1.0 3.0
   60    66    73    74   3.62500 -1.0 2.0
   60    66    73    75   3.62500 -1.0 2.0
   60    66    84    78   3.62500 -1.0 2.0
   60    66    84    85   3.62500 -1.0 2.0
   61    60    66    73   0.00000  1.0 1.0
   61    60    66    84   0.00000  1.0 1.0
   61    60    67    68   0.19450  1.0 3.0
   66    60    67    68   0.31900  1.0 1.0
   66    60    67    68  -0.11800 -1.0 2.0
   66    60    67    68   0.38750  1.0 3.0
   66    73    75    76   3.62500 -1.0 2.0
   66    73    75    77   3.62500 -1.0 2.0
   73    66    84    78   3.62500 -1.0 2.0
   73    66    84    85   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    80   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    84   3.62500 -1.0 2.0
   75    76    78    86   3.62500 -1.0 2.0
   75    76    79    87   1.63200 -1.0 2.0
   75    77    80    81   0.08050  1.0 3.0
   75    77    80    82   0.08050  1.0 3.0
   75    77    80    83   0.08050  1.0 3.0
   76    75    77    80   1.63200 -1.0 2.0
   76    78   -84    66   3.62500 -1.0 2.0
   76    78    84    85   3.62500 -1.0 2.0
   76    78    86    91   1.63200 -1.0 2.0
   76    79    87    88   0.08050  1.0 3.0
   76    79    87    89   0.08050  1.0 3.0
   76    79    87    90   0.08050  1.0 3.0
   78    76    79    87   1.63200 -1.0 2.0
   78    86    91    92   0.08050  1.0 3.0
   78    86    91    93   0.08050  1.0 3.0
   78    86    91    94   0.08050  1.0 3.0
   84    66    73    74   3.62500 -1.0 2.0
   84    66   -73    75   3.62500 -1.0 2.0
   84    78    86    91   1.63200 -1.0 2.0
   86    78    84    66   3.62500 -1.0 2.0
   86    78    84    85   3.62500 -1.0 2.0
   79    76    78    84   3.62500 -1.0 2.0
   79    76    78    86   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
   67    60    66    73   0.14300 -1.0 2.0
   67    60    66    73   0.00300  1.0 3.0
   67    60    66    84   0.14300 -1.0 2.0
   67    60    66    84   0.00300  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    41    42  10.50000 -1.0 2.0
   47    55    54    63  15.00000 -1.0 2.0
   64    65    63    54  15.00000 -1.0 2.0
   73    84    66    60   4.00000 -1.0 2.0
   75    74    73    66   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
   84    86    78    76   4.00000 -1.0 2.0
   78    85    84    66   1.10000 -1.0 2.0
END
