* LIGAND DATABASE FILE (OPLS2005)
*
001      92    96    172    285     505
    1     0 S   NP   _N1_     1    29.90964    93.46264   -18.06181
    2     1 S   H    _HN1     2     1.02764    81.78237   -31.73330
    3     1 S   H    _H1_     3     1.02974   127.88571    75.25258
    4     1 S   H    _H2_     4     1.02837    28.68216   124.14659
    5     1 S   CT   _CA1     5     1.50228   111.98676  -142.67649
    6     5 S   HC   _HA1     6     1.09532   105.27161    29.00755
    7     5 S   CO3  _C1_     7     1.53895   112.58268   -91.32411
    8     7 S   O2Z  _O11     8     1.26371   114.92691   -29.29418
    9     7 S   O2Z  _O12     9     1.26213   115.32233   150.24760
   10     5 S   CT   _CB1    10     1.53076   107.29288   147.54891
   11    10 S   HC   HB11    11     1.09847   109.85187   -43.85723
   12    10 S   HC   HB12    12     1.09786   110.00893    72.37270
   13    10 S   CT   _CG1    13     1.53081   112.94393  -164.70037
   14    13 S   HC   HG11    14     1.09492   111.51900   -61.41562
   15    13 S   HC   HG12    15     1.09583   110.67433    58.02267
   16    13 S   C    _CD1    16     1.51392   110.14280   177.78389
   17    16 S   O    _OE1    17     1.22762   122.03582   -98.52836
   18    16 S   N    _N2_    18     1.38313   112.50092    79.91205
   19    18 S   H    _HN2    19     1.01502   119.06763     3.51719
   20    18 S   CT1  _CA2    20     1.46093   123.21753  -176.36951
   21    20 S   HC   _HA2    21     1.09750   108.42982    25.81982
   22    20 S   C    _C2_    22     1.53159   111.24681   -90.96944
   23    22 S   O    _O2_    23     1.23119   121.02139   166.48039
   24    20 S   CT   _CB2    32     1.53440   110.95724   147.67659
   25    24 S   HC   HB21    33     1.09437   109.80174    59.37191
   26    24 S   HC   HB22    34     1.09468   109.86687   178.00747
   27    22 S   N    _N3_    24     1.37963   114.70139   -18.95253
   28    27 S   H    _HN3    25     1.01522   119.25070     7.33997
   29    24 S   S    _SG2    35     1.83089   110.15228   -62.64489
   30    27 S   CT   _CA3    26     1.45294   123.18577  -177.57013
   31    30 S   HC   HA31    27     1.09529   107.85567   -60.46423
   32    30 S   HC   HA32    28     1.09555   107.75330    56.04896
   33    29 S   CT   _C17    36     1.87330   102.27635   158.66458
   34    30 S   CO3  _C3_    29     1.52765   113.55356   178.33024
   35    34 S   O2Z  _O31    30     1.26490   115.72276    17.41271
   36    34 S   O2Z  _O32    31     1.26298   114.88973  -161.92963
   37    33 S   C5B  _C10    37     1.51968   112.86844   -60.74272
   38    33 S   C    _C20    70     1.52622   104.63363    63.34473
   39    38 S   O    _O34    71     1.22334   126.59363   -77.36291
   40    37 S   C5A  _C9_    38     1.38612   126.30260   -32.45941
   41    40 S   HA   _H17    39     1.08206   130.47243     1.35162
   42    38 S   N    _N6_    72     1.37264   108.11790   101.20373
   43    42 S   H    _H22    73     1.01300   122.79832  -173.80040
   44    40 S   NA   _N5_    40     1.36796   109.38933  -176.50565
   45    42 S   C    _C19    74     1.37024   114.44632     7.56883
   46    45 S   O    _O33    75     1.22194   126.00639  -178.12654
   47    44 S   C56A _C12    41     1.37580   110.13072     0.56023
   48    44 S   CT   _C8_    51     1.45252   123.99878   175.32132
   49    48 S   HC   _H15    52     1.09635   107.10530  -133.47055
   50    48 S   HC   _H16    53     1.09377   107.85913   -19.06984
   51    33 S   CT   _C18    76     1.56674   112.64012   173.39325
   52    51 S   HC   _H3_    77     1.10131   109.35247   156.67563
   53    47 S   CA   _C13    42     1.40525   130.67922   179.08464
   54    53 S   HA   _H18    43     1.08536   121.43586     1.42244
   55    48 S   CT   _C7_    54     1.52917   114.41327   104.28199
   56    55 S   HC   _H13    55     1.09559   109.63020    56.58587
   57    55 S   HC   _H14    56     1.09522   107.40026   172.47838
   58    51 S   C5B  _C21    78     1.50428   117.28107    34.26262
   59    53 S   CA   _C14    44     1.39533   118.38708  -178.10411
   60    59 S   HA   _H19    45     1.08688   119.56853   179.92087
   61    55 S   CT   _C6_    57     1.52734   112.50458   -66.14873
   62    61 S   HC   _H11    58     1.09497   111.65340   -51.87820
   63    61 S   HC   _H12    59     1.09559   111.40624    69.00474
   64    58 S   C5A  _C22    79     1.38393   127.47959   -91.25898
   65    64 S   HA   _H23    80     1.08167   131.15488    -0.42151
   66    59 S   CA   _C15    46     1.38837   120.67733     0.51205
   67    66 S   HA   _H20    47     1.08680   119.83558   179.33884
   68    61 S   NP   _N4_    60     1.51207   112.45963  -171.74721
   69    68 S   H    _H7_    61     1.03470   105.09636  -175.76460
   70    64 S   NA   _N7_    81     1.36697   108.82401   178.95939
   71    70 S   H    _H24    82     1.01062   124.92540  -179.83807
   72    66 S   CA   _C16    48     1.39914   120.58239    -0.39664
   73    72 S   HA   _H21    49     1.08559   118.50497   179.15489
   74    68 S   CT   _C4_    62     1.50200   114.41523   -61.45830
   75    74 S   HC   _H4_    63     1.09258   108.99881    71.81143
   76    74 S   HC   _H5_    64     1.09338   107.88593  -168.21675
   77    74 S   HC   _H6_    65     1.09303   108.18759   -49.33187
   78    68 S   CT   _C5_    66     1.50212   114.18071    70.20953
   79    78 S   HC   _H8_    67     1.09219   109.13166   -71.76711
   80    78 S   HC   _H9_    68     1.09281   108.27803    49.50142
   81    78 S   HC   _H10    69     1.09346   107.80179   168.24423
   82    70 S   C56A _C23    83     1.37354   110.20717     0.26980
   83    37 S   C56B _C11    50     1.44569   127.91099   153.36654
   84    82 S   CA   _C28    84     1.39993   129.95907  -179.90109
   85    84 S   HA   _H28    85     1.08499   121.42458     0.12354
   86    84 S   CA   _C27    86     1.39693   117.66447  -179.71676
   87    86 S   HA   _H27    87     1.08707   119.52216  -179.95154
   88    86 S   CA   _C26    88     1.39192   120.91508     0.37639
   89    88 S   HA   _H26    89     1.08691   119.77444   179.80617
   90    88 S   CA   _C25    90     1.39940   120.70474    -0.03426
   91    90 S   HA   _H25    91     1.08602   119.49710   179.35959
   92    58 S   C56B _C24    92     1.43802   126.30634    88.50975
  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  11   5   4   3
  18   2   1   1  17  10   4  11   4   6   3  13   6   3  12  11
   5   4   9   3   7   4   9   5   4  10   6   3  12   5   4   7
   4   4   3   9   8   7   3   2   1   7   3   2   1   3   2   1
   1   8   1   7   4   6   3   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    83    38    39    42    45    51    52    58  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    47    72    83    38    39    42    43    45    46    51    52    58    64    92  
   35    36  
   36  
    0  
   40    41    44    47    53    66    72    73    83    48    38    39    42    45    51    52    58  
   39    42    43    45    46    51    52    58    40    83  
   42    43    45    51  
   41    44    47    53    72    83    48    49    50    55    51  
   44    47    83    48  
   43    45    46    51    52    58  
   45    46    51  
   47    53    54    59    72    83    48    49    50    55    56    57    61  
   46    51    52    58    64    92  
   51    52    58  
   53    54    59    60    66    72    73    83    48    49    50    55  
   49    50    55    56    57    61    62    63    68    53    83  
   50    55    56    57    61  
   55    56    57    61  
   52    58    64    65    70    82    90    92    83  
   58    64    92  
   54    59    60    66    67    72    83  
   59    60    66    83  
   56    57    61    62    63    68    69    74    78  
   57    61    62    63    68  
   61    62    63    68  
   64    65    70    71    82    84    88    90    91    92  
   60    66    67    72    73    83  
   66    67    72  
   62    63    68    69    74    75    76    77    78    79    80    81  
   63    68    69    74    78  
   68    69    74    78  
   65    70    71    82    84    90    92  
   70    71    82    92  
   67    72    73    83  
   72    73    83  
   69    74    75    76    77    78    79    80    81  
   74    75    76    77    78    79    80    81  
   71    82    84    85    86    90    92  
   82    84    92  
   73    83  
   83  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   84    85    86    87    88    90    91    92  
    0  
   85    86    87    88    89    90    92  
   86    87    88    92  
   87    88    89    90    91    92  
   88    89    90  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.234000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   42   3.2500   0.1700  -0.481700   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.356700   1.5900   1.4000   0.030040813  -0.651083722
   44   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   45   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.234000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   68   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   69   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   71   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   84   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   92   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   295.000  1.494
   33    38   317.000  1.522
   33    51   268.000  1.529
   37    40   520.000  1.370
   37    83   380.000  1.440
   40    41   367.000  1.080
   40    44   427.000  1.381
   44    47   428.000  1.380
   44    48   320.000  1.443
   47    53   469.000  1.400
   47    83   447.000  1.419
   53    54   367.000  1.080
   53    59   469.000  1.400
   59    60   367.000  1.080
   59    66   469.000  1.400
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    83   469.000  1.404
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   367.000  1.471
   68    69   434.000  1.010
   68    74   367.000  1.471
   68    78   367.000  1.471
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   38    39   570.000  1.229
   38    42   490.000  1.335
   42    43   434.000  1.010
   42    45   490.000  1.335
   45    46   570.000  1.229
   45    51   317.000  1.522
   51    52   340.000  1.090
   51    58   295.000  1.494
   58    64   520.000  1.370
   58    92   380.000  1.440
   64    65   367.000  1.080
   64    70   427.000  1.381
   70    71   434.000  1.010
   70    82   428.000  1.380
   82    84   469.000  1.400
   82    92   447.000  1.419
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    91   367.000  1.080
   90    92   469.000  1.404
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    38    70.00000  112.33000
   29    33    51    75.00000  111.63000
   33    37    40    55.00000  127.77900
   33    37    83    55.00000  128.73000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.60000
   33    51    45    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    58    70.00000  112.62400
   37    40    41    35.00000  130.70000
   37    40    44    70.00000  106.30000
   37    83    47    80.00000  107.43600
   37    83    72    50.00000  134.85500
   40    44    47    90.00000  107.14200
   40    44    48    65.00000  127.50000
   44    40    41    35.00000  121.60000
   44    47    53    70.00000  132.80000
   44    47    83    70.00000  104.40000
   44    48    49    50.00000  108.61900
   44    48    50    50.00000  108.61900
   44    48    55    75.00000  111.19500
   47    53    54    35.00000  120.00000
   47    53    59    85.00000  120.00000
   47    83    72    85.00000  116.20000
   53    59    60    35.00000  120.00000
   53    59    66    63.00000  120.00000
   59    53    54    35.00000  120.00000
   59    66    67    35.00000  120.00000
   59    66    72    63.00000  120.00000
   66    59    60    35.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    83    63.00000  120.00000
   72    66    67    35.00000  120.00000
   83    37    40    80.00000  105.82900
   83    47    53    85.00000  122.70000
   83    72    73    35.00000  120.00000
   48    44    47    65.00000  128.16600
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    61    58.35000  112.70000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    68    80.00000  111.20000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    68    69    35.00000  109.50000
   61    68    74    75.00000  113.01200
   61    68    78    75.00000  113.01200
   63    61    62    33.00000  107.80000
   68    61    62    35.00000  109.50000
   68    61    63    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    35.00000  109.50000
   68    78    79    35.00000  109.50000
   68    78    80    35.00000  109.50000
   68    78    81    35.00000  109.50000
   74    68    69    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    68    69    35.00000  109.50000
   78    68    74    75.00000  113.01200
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   38    33    37    70.00000  109.44300
   38    42    43    35.00000  119.80000
   38    42    45    70.00000  121.37400
   42    38    39    80.00000  122.90000
   42    45    46    80.00000  122.90000
   42    45    51    70.00000  116.60000
   45    42    43    35.00000  119.80000
   45    51    52    35.00000  109.50000
   45    51    58    70.00000  109.44300
   51    33    37    70.00000  112.62400
   51    33    38    63.00000  111.10000
   51    45    46    80.00000  120.40000
   51    58    64    55.00000  127.77900
   51    58    92    55.00000  128.73000
   58    51    52    45.00000  111.11700
   58    64    65    35.00000  130.70000
   58    64    70    70.00000  106.30000
   58    92    82    80.00000  107.43600
   58    92    90    50.00000  134.85500
   64    70    71    35.00000  120.00000
   64    70    82    90.00000  107.14200
   70    64    65    35.00000  121.60000
   70    82    84    70.00000  132.80000
   70    82    92    70.00000  104.40000
   82    70    71    35.00000  123.10000
   82    84    85    35.00000  120.00000
   82    84    86    85.00000  120.00000
   82    92    90    85.00000  116.20000
   84    86    87    35.00000  120.00000
   84    86    88    63.00000  120.00000
   86    84    85    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    90    63.00000  120.00000
   88    86    87    35.00000  120.00000
   88    90    91    35.00000  120.00000
   88    90    92    63.00000  120.00000
   90    88    89    35.00000  120.00000
   92    58    64    80.00000  105.82900
   92    82    84    85.00000  122.70000
   92    90    91    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    83  -0.16000  1.0 1.0
   29    33    37    83  -0.03200 -1.0 2.0
   29    33    37    83   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.00000  1.0 1.0
   29    33    51    45   0.56750  1.0 1.0
   29    33    51    45  -0.07550 -1.0 2.0
   29    33    51    45   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    58   0.56750  1.0 1.0
   29    33    51    58  -0.07550 -1.0 2.0
   29    33    51    58   0.20000  1.0 3.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    44   3.62500 -1.0 2.0
   33    37    83    47   3.62500 -1.0 2.0
   33    37    83    72   3.62500 -1.0 2.0
   33    38    42    43   2.45000 -1.0 2.0
   33    38   -42    45   2.45000 -1.0 2.0
   33    51    58    64   0.04150 -1.0 2.0
   33    51    58    92   0.04150 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    42   0.00000  1.0 1.0
   37    33    51    45   0.56750  1.0 1.0
   37    33    51    45  -0.07550 -1.0 2.0
   37    33    51    45   0.20000  1.0 3.0
   37    33    51    52   0.43200  1.0 3.0
   37    33    51    58  -0.94300  1.0 1.0
   37    33    51    58   1.32550 -1.0 2.0
   37    33    51    58  -0.07100  1.0 3.0
   37    40   -44    47   3.62500 -1.0 2.0
   37    40    44    48   3.62500 -1.0 2.0
   40    37   -83    47   3.50000 -1.0 2.0
   40    37    83    72   3.62500 -1.0 2.0
   40    44    47    53   3.62500 -1.0 2.0
   40    44   -47    83   3.62500 -1.0 2.0
   40    44    48    49   0.00000  1.0 1.0
   40    44    48    50   0.00000  1.0 1.0
   40    44    48    55   1.10250  1.0 1.0
   40    44    48    55   0.01650 -1.0 2.0
   40    44    48    55   0.39100  1.0 3.0
   41    40    44    47   3.62500 -1.0 2.0
   41    40    44    48   3.62500 -1.0 2.0
   44    47    53    54   3.62500 -1.0 2.0
   44    47    53    59   3.62500 -1.0 2.0
   44    47   -83    37   3.00000 -1.0 2.0
   44    47    83    72   3.00000 -1.0 2.0
   44    48    55    56   0.15000  1.0 3.0
   44    48    55    57   0.15000  1.0 3.0
   44    48    55    61  -0.64600  1.0 1.0
   44    48    55    61   0.58400 -1.0 2.0
   47    44    48    49   0.00000  1.0 1.0
   47    44    48    50   0.00000  1.0 1.0
   47    44    48    55   1.10250  1.0 1.0
   47    44    48    55   0.01650 -1.0 2.0
   47    44    48    55   0.39100  1.0 3.0
   47    53    59    60   3.62500 -1.0 2.0
   47    53    59    66   3.62500 -1.0 2.0
   53    47    83    37   3.00000 -1.0 2.0
   53    47    83    72   3.00000 -1.0 2.0
   53    59    66    67   3.62500 -1.0 2.0
   53    59   -66    72   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   54    53    59    66   3.62500 -1.0 2.0
   59    66    72    73   3.62500 -1.0 2.0
   59    66    72    83   3.62500 -1.0 2.0
   60    59    66    67   3.62500 -1.0 2.0
   60    59    66    72   3.62500 -1.0 2.0
   66    72    83    37   3.62500 -1.0 2.0
   66    72   -83    47   3.50000 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    83   3.62500 -1.0 2.0
   73    72    83    37   3.62500 -1.0 2.0
   73    72    83    47   3.50000 -1.0 2.0
   83    37    40    41   3.62500 -1.0 2.0
   83    37   -40    44   3.62500 -1.0 2.0
   83    47    53    54   3.62500 -1.0 2.0
   83    47   -53    59   3.62500 -1.0 2.0
   48    44    47    53   3.62500 -1.0 2.0
   48    44    47    83   3.62500 -1.0 2.0
   48    55    61    62   0.15000  1.0 3.0
   48    55    61    63   0.15000  1.0 3.0
   48    55    61    68   1.36600  1.0 1.0
   48    55    61    68  -0.11450 -1.0 2.0
   48    55    61    68   0.24250  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    61   0.15000  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    57   0.15000  1.0 3.0
   50    48    55    61   0.15000  1.0 3.0
   55    61    68    69   0.17350  1.0 3.0
   55    61    68    74   0.47100  1.0 1.0
   55    61    68    78   0.47100  1.0 1.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    68   0.19200  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    68   0.19200  1.0 3.0
   61    68    74    75   0.15000  1.0 3.0
   61    68    74    76   0.15000  1.0 3.0
   61    68    74    77   0.15000  1.0 3.0
   61    68    78    79   0.15000  1.0 3.0
   61    68    78    80   0.15000  1.0 3.0
   61    68    78    81   0.15000  1.0 3.0
   62    61    68    69   0.13050  1.0 3.0
   62    61    68    74   0.15000  1.0 3.0
   62    61    68    78   0.15000  1.0 3.0
   63    61    68    69   0.13050  1.0 3.0
   63    61    68    74   0.15000  1.0 3.0
   63    61    68    78   0.15000  1.0 3.0
   69    68    74    75   0.13050  1.0 3.0
   69    68    74    76   0.13050  1.0 3.0
   69    68    74    77   0.13050  1.0 3.0
   69    68    78    79   0.13050  1.0 3.0
   69    68    78    80   0.13050  1.0 3.0
   69    68    78    81   0.13050  1.0 3.0
   74    68    78    79   0.15000  1.0 3.0
   74    68    78    80   0.15000  1.0 3.0
   74    68    78    81   0.15000  1.0 3.0
   78    68    74    75   0.15000  1.0 3.0
   78    68    74    76   0.15000  1.0 3.0
   78    68    74    77   0.15000  1.0 3.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    83   0.04300 -1.0 2.0
   38    33   -51    45   0.11950  1.0 1.0
   38    33   -51    45   0.20300 -1.0 2.0
   38    33   -51    45  -0.70800  1.0 3.0
   38    33    51    52  -0.11250  1.0 3.0
   38    33    51    58   0.56750  1.0 1.0
   38    33    51    58  -0.07550 -1.0 2.0
   38    33    51    58   0.20000  1.0 3.0
   38    42    45    46   2.22250 -1.0 2.0
   38    42   -45    51   2.45000 -1.0 2.0
   39    38    42    43   2.45000 -1.0 2.0
   39    38    42    45   2.22250 -1.0 2.0
   42    45   -51    33   1.39750  1.0 1.0
   42    45   -51    33  -0.07950 -1.0 2.0
   42    45   -51    33  -0.18750  1.0 3.0
   42    45    51    52   0.00000  1.0 1.0
   42    45    51    58   0.00000  1.0 1.0
   43    42    45    46   2.45000 -1.0 2.0
   43    42    45    51   2.45000 -1.0 2.0
   45    51    58    64   0.04300 -1.0 2.0
   45    51    58    92   0.04300 -1.0 2.0
   46    45    51    33   0.30150 -1.0 2.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    58   0.30150 -1.0 2.0
   51    33    37    40   0.04150 -1.0 2.0
   51    33    37    83   0.04150 -1.0 2.0
   51    33    38    39   0.30150 -1.0 2.0
   51    33   -38    42   1.39750  1.0 1.0
   51    33   -38    42  -0.07950 -1.0 2.0
   51    33   -38    42  -0.18750  1.0 3.0
   51    58    64    65   3.62500 -1.0 2.0
   51    58    64    70   3.62500 -1.0 2.0
   51    58    92    82   3.62500 -1.0 2.0
   51    58    92    90   3.62500 -1.0 2.0
   52    51    58    64   0.00000  1.0 1.0
   52    51    58    92   0.00000  1.0 1.0
   58    64    70    71   1.40000 -1.0 2.0
   58    64   -70    82   3.62500 -1.0 2.0
   64    58   -92    82   3.50000 -1.0 2.0
   64    58    92    90   3.62500 -1.0 2.0
   64    70    82    84   3.62500 -1.0 2.0
   64    70   -82    92   3.62500 -1.0 2.0
   65    64    70    71   2.00000 -1.0 2.0
   65    64    70    82   3.62500 -1.0 2.0
   70    82    84    85   3.62500 -1.0 2.0
   70    82    84    86   3.62500 -1.0 2.0
   70    82   -92    58   3.00000 -1.0 2.0
   70    82    92    90   3.00000 -1.0 2.0
   71    70    82    84   1.52500 -1.0 2.0
   71    70    82    92   1.52500 -1.0 2.0
   82    84    86    87   3.62500 -1.0 2.0
   82    84    86    88   3.62500 -1.0 2.0
   84    82    92    58   3.00000 -1.0 2.0
   84    82    92    90   3.00000 -1.0 2.0
   84    86    88    89   3.62500 -1.0 2.0
   84    86   -88    90   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   85    84    86    88   3.62500 -1.0 2.0
   86    88    90    91   3.62500 -1.0 2.0
   86    88    90    92   3.62500 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   87    86    88    90   3.62500 -1.0 2.0
   88    90    92    58   3.62500 -1.0 2.0
   88    90   -92    82   3.50000 -1.0 2.0
   89    88    90    91   3.62500 -1.0 2.0
   89    88    90    92   3.62500 -1.0 2.0
   91    90    92    58   3.62500 -1.0 2.0
   91    90    92    82   3.50000 -1.0 2.0
   92    58    64    65   3.62500 -1.0 2.0
   92    58   -64    70   3.62500 -1.0 2.0
   92    82    84    85   3.62500 -1.0 2.0
   92    82   -84    86   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   40    83    37    33   4.00000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   47    48    44    40   4.00000 -1.0 2.0
   53    83    47    44   4.00000 -1.0 2.0
   59    54    53    47   1.10000 -1.0 2.0
   66    60    59    53   1.10000 -1.0 2.0
   72    67    66    59   1.10000 -1.0 2.0
   83    73    72    66   1.10000 -1.0 2.0
   47    72    83    37   4.00000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   43    38    42    45   1.00000 -1.0 2.0
   42    51    45    46  10.50000 -1.0 2.0
   64    92    58    51   4.00000 -1.0 2.0
   70    65    64    58   1.10000 -1.0 2.0
   71    64    70    82   1.00000 -1.0 2.0
   84    92    82    70   4.00000 -1.0 2.0
   86    85    84    82   1.10000 -1.0 2.0
   88    87    86    84   1.10000 -1.0 2.0
   90    89    88    86   1.10000 -1.0 2.0
   92    91    90    88   1.10000 -1.0 2.0
   82    90    92    58   4.00000 -1.0 2.0
END
