* LIGAND DATABASE FILE (OPLS2005)
*
001      95    97    169    258     488
    1     0 S   NP   _N1_     1    28.13158    97.92383   -22.87522
    2     1 S   H    _HN1     2     1.02958    69.61345     4.84687
    3     1 S   H    _H1_     3     1.02837    41.19027   158.98968
    4     1 S   H    _H2_     4     1.02778   104.06117   -99.79340
    5     1 S   CT   _CA1     5     1.50126   140.84580   102.46541
    6     5 S   HC   _HA1     6     1.09576   105.22212    95.13772
    7     5 S   CO3  _C1_     7     1.53786   112.32986   -25.05983
    8     7 S   O2Z  _O11     8     1.26364   114.99979   -44.91954
    9     7 S   O2Z  _O12     9     1.26234   114.92766   134.16662
   10     5 S   CT   _CB1    10     1.53096   107.42209  -146.97224
   11    10 S   HC   HB11    11     1.09827   109.33752   -50.65573
   12    10 S   HC   HB12    12     1.09816   110.43212    65.89763
   13    10 S   CT   _CG1    13     1.53019   112.66157  -171.72725
   14    13 S   HC   HG11    14     1.09595   110.48314   -64.08341
   15    13 S   HC   HG12    15     1.09655   109.92828    55.11598
   16    13 S   C    _CD1    16     1.51839   112.30354   175.48403
   17    16 S   O    _OE1    17     1.22751   123.26976    -0.11869
   18    16 S   N    _N2_    18     1.38549   111.71375   179.88809
   19    18 S   H    _HN2    19     1.01567   119.05342     4.53121
   20    18 S   CT1  _CA2    20     1.45819   122.87630   178.11581
   21    20 S   HC   _HA2    21     1.09734   108.81903    23.37277
   22    20 S   C    _C2_    22     1.52739   106.78837   -93.66710
   23    22 S   O    _O2_    23     1.22981   122.73826   -40.23134
   24    20 S   CT   _CB2    32     1.53251   111.95443   146.47628
   25    24 S   HC   HB21    33     1.09582   110.80540    44.03584
   26    24 S   HC   HB22    34     1.09125   110.04448   162.72145
   27    22 S   N    _N3_    24     1.38578   112.69192   141.75665
   28    27 S   H    _HN3    25     1.01625   120.21762    -2.72620
   29    24 S   S    _SG2    35     1.83028   109.53443   -75.86281
   30    27 S   CT   _CA3    26     1.45355   122.49119   179.31300
   31    30 S   HC   HA31    27     1.09580   107.42652   -59.37731
   32    30 S   HC   HA32    28     1.09555   107.88502    56.77327
   33    29 S   CT   _C16    36     1.84855   102.01400  -159.13140
   34    33 S   OM   _O37    37     1.32182   109.79452   -62.75541
   35    30 S   CO3  _C3_    29     1.52950   114.43887   178.30315
   36    35 S   O2Z  _O31    30     1.26376   116.16768   -18.55546
   37    35 S   O2Z  _O32    31     1.26422   114.48505   161.45959
   38    33 S   CM   _C15    38     1.51474   111.33857   178.34803
   39    38 S   OS   _O35    39     1.40197   112.50782  -141.38069
   40    38 S   CM   _C14    69     1.34784   127.39376    39.14520
   41    40 S   HC   _H14    70     1.08649   120.55703     2.85129
   42    39 S   CO4  _C18    40     1.36311   107.71399     7.45630
   43    42 S   O    _O34    41     1.22482   123.33616  -176.87131
   44    40 S   CA   _C10    71     1.46769   124.44321  -178.60058
   45    33 S   CT   _C17    42     1.54985   116.84766    63.54407
   46    45 S   HC   _H3_    43     1.10183   110.18045  -108.44400
   47    44 S   CA   _C11    72     1.39845   119.43216  -124.05764
   48    47 S   HA   _H11    73     1.08764   120.56448     1.22733
   49    45 S   CA   _C19    44     1.52177   119.59646    17.45201
   50    47 S   CA   _C12    74     1.39510   120.29074  -179.43145
   51    50 S   HA   _H12    75     1.08632   119.22788  -179.27153
   52    49 S   CA   _C20    45     1.40227   119.23818  -121.46541
   53    52 S   HA   _H15    46     1.08749   120.48227    -1.17420
   54    50 S   CA   _C13    76     1.39599   119.88138     0.66969
   55    52 S   CA   _C21    47     1.39252   120.74019   177.52773
   56    55 S   HA   _H16    48     1.08624   119.26201  -179.28976
   57    54 S   CA   _C8_    77     1.40051   121.01743     0.55391
   58    54 S   OH   _O33    94     1.36878   119.71182  -179.65001
   59    58 S   HO   _H13    95     0.97217   108.79879     0.87357
   60    55 S   CA   _C22    49     1.39371   119.86367     0.01978
   61    44 S   CA   _C9_    78     1.40282   121.24878    57.92453
   62    61 S   HA   _H10    79     1.08871   119.63891    -0.98357
   63    57 S   CT   _C7_    80     1.51097   122.04218  -179.49759
   64    63 S   HC   _H8_    81     1.09795   108.97957  -148.22823
   65    63 S   HC   _H9_    82     1.09377   109.85231   -34.64792
   66    60 S   CA   _C23    50     1.39921   120.96975     1.89134
   67    60 S   OH   _O36    67     1.36889   119.43497  -177.55824
   68    67 S   HO   _H27    68     0.97578   108.14650    17.05591
   69    63 S   CM   _C6_    83     1.50361   112.31885    91.92898
   70    69 S   HC   _H7_    84     1.09022   114.02978    66.79262
   71    49 S   CA   _C24    51     1.40498   122.23282    58.44777
   72    71 S   HA   _H17    52     1.08794   119.60925     1.67900
   73    66 S   CT   _C25    53     1.50972   122.17233   177.68768
   74    73 S   HC   _H18    54     1.09742   109.93939    33.17575
   75    73 S   HC   _H19    55     1.09533   109.54568   146.92762
   76    69 S   CM   _C5_    85     1.34683   128.22703  -114.23316
   77    73 S   CM   _C26    56     1.50351   112.19528   -87.84963
   78    77 S   HC   _H20    57     1.08988   114.01127    76.78525
   79    76 S   CT   _C4_    86     1.50617   120.31269  -179.31329
   80    79 S   HC   _H4_    87     1.09497   110.22971   120.34712
   81    79 S   HC   _H5_    88     1.09497   110.24678  -119.84172
   82    79 S   HC   _H6_    89     1.09513   112.44927     0.26020
   83    76 S   CT   _C30    90     1.50244   125.46498     1.03117
   84    83 S   HC   _H28    91     1.09525   110.00470   121.14492
   85    83 S   HC   _H29    92     1.09511   110.02867  -119.64096
   86    83 S   HC   _H30    93     1.09131   113.77785     0.89853
   87    77 S   CM   _C27    58     1.34700   127.93973  -104.18938
   88    87 S   CT   _C28    59     1.50571   120.43168  -179.19109
   89    88 S   HC   _H21    60     1.09496   110.22234   120.58564
   90    88 S   HC   _H22    61     1.09501   110.25602  -119.61404
   91    88 S   HC   _H23    62     1.09510   112.42517     0.49968
   92    87 S   CT   _C29    63     1.50235   125.28022     1.63566
   93    92 S   HC   _H24    64     1.09512   109.90530   121.27226
   94    92 S   HC   _H25    65     1.09497   110.12768  -119.46623
   95    92 S   HC   _H26    66     1.09163   113.71631     1.24929
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  11   8  10   3   6   3   9   8   3   8   4
   9   7   3   8   4   9   7   3  10   3   1   9   5   1   7   4
   3  10   3   1  10   3   5   1   7   4   3   8  10   3   7   3
   2   1   3   2   1   1   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    45    46    49    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    45    46    49    52    71    40    41    44  
   38    39    42    45    46    49    40  
   36    37  
   37  
    0  
   39    42    43    45    46    49    40    41    44    47    61  
   42    43    45    46    49    40    41    44  
   41    44    47    48    50    57    61    62    42    45  
   44    47    61  
   43    45    46    49    52    71  
   45    46    49  
   47    48    50    51    54    57    61    62    63  
   46    49    52    53    55    66    71    72  
   49    52    71  
   48    50    51    54    57    61    62    58  
   50    51    54    61  
   52    53    55    56    60    66    71    72    73  
   51    54    57    61    63    58    59  
   54    57    58  
   53    55    56    60    66    71    72    67  
   55    56    60    71  
   57    61    62    63    64    65    69    58    59  
   56    60    66    71    73    67    68  
   60    66    67  
   61    62    63    64    65    69    70    76    58    59  
   59    61    63  
    0  
   66    71    72    73    74    75    77    67    68  
   62    63    64    65    69  
   63  
   64    65    69    70    76    79    83  
   65    69    70    76  
   69    70    76  
   71    72    73    74    75    77    78    87    67    68  
   68    71    73  
    0  
   70    76    79    80    81    82    83    84    85    86  
   76    79    83  
   72    73    74    75    77  
   73  
   74    75    77    78    87    88    92  
   75    77    78    87  
   77    78    87  
   79    80    81    82    83    84    85    86  
   78    87    88    89    90    91    92    93    94    95  
   87    88    92  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95  
   94    95  
   95  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   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   570.000  1.307
   33    38   317.000  1.510
   33    45   268.000  1.529
   38    39   440.000  1.360
   38    40   549.000  1.340
   39    42   214.000  1.327
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    49   317.000  1.510
   49    52   469.000  1.400
   49    71   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    66   469.000  1.400
   60    67   450.000  1.364
   66    71   469.000  1.400
   66    73   317.000  1.510
   71    72   367.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   317.000  1.510
   77    78   340.000  1.080
   77    87   549.000  1.340
   87    88   317.000  1.510
   87    92   317.000  1.510
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   67    68   553.000  0.945
   40    41   340.000  1.080
   40    44   320.000  1.460
   44    47   469.000  1.400
   44    61   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    61   469.000  1.400
   57    63   317.000  1.510
   61    62   367.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   317.000  1.510
   69    70   340.000  1.080
   69    76   549.000  1.340
   76    79   317.000  1.510
   76    83   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   58    59   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    45    75.00000  111.63000
   33    38    39    85.00000  112.85300
   33    38    40    70.00000  124.00000
   33    45    42    63.00000  111.10000
   33    45    46    37.50000  110.70000
   33    45    49    70.00000  112.17500
   38    33    34    85.00000  110.90400
   38    39    42    90.00000  114.22900
   38    40    41    35.00000  120.00000
   38    40    44    60.00000  123.20500
   39    42    43    83.00000  123.40000
   39    42    45    81.00000  111.40000
   42    45    46    35.00000  109.50000
   42    45    49    70.00000  110.93000
   45    33    34    50.00000  109.50000
   45    33    38    70.00000  112.02700
   45    42    43    80.00000  120.40000
   45    49    52    70.00000  120.00000
   45    49    71    70.00000  120.00000
   49    45    46    35.00000  109.50000
   49    52    53    35.00000  120.00000
   49    52    55    63.00000  120.00000
   49    71    66    63.00000  120.00000
   49    71    72    35.00000  120.00000
   52    55    56    35.00000  120.00000
   52    55    60    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    60    66    63.00000  120.00000
   55    60    67    70.00000  120.00000
   60    55    56    35.00000  120.00000
   60    66    71    63.00000  120.00000
   60    66    73    70.00000  120.00000
   60    67    68    35.00000  113.00000
   66    71    72    35.00000  120.00000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    77    70.00000  112.99600
   71    49    52    63.00000  120.00000
   73    66    71    70.00000  120.00000
   73    77    78    35.00000  117.00000
   73    77    87    70.00000  124.00000
   75    73    74    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    35.00000  109.50000
   77    87    88    70.00000  124.00000
   77    87    92    70.00000  124.00000
   87    77    78    35.00000  120.00000
   87    88    89    35.00000  109.50000
   87    88    90    35.00000  109.50000
   87    88    91    35.00000  109.50000
   87    92    93    35.00000  109.50000
   87    92    94    35.00000  109.50000
   87    92    95    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    87    88    65.00000  117.92700
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   67    60    66    70.00000  120.00000
   40    38    39    80.00000  120.01400
   40    44    47    60.00000  120.93500
   40    44    61    60.00000  120.93500
   44    40    41    40.00000  117.26300
   44    47    48    35.00000  120.00000
   44    47    50    63.00000  120.00000
   44    61    57    63.00000  120.00000
   44    61    62    35.00000  120.00000
   47    50    51    35.00000  120.00000
   47    50    54    63.00000  120.00000
   50    47    48    35.00000  120.00000
   50    54    57    63.00000  120.00000
   50    54    58    70.00000  120.00000
   54    50    51    35.00000  120.00000
   54    57    61    63.00000  120.00000
   54    57    63    70.00000  120.00000
   54    58    59    35.00000  113.00000
   57    61    62    35.00000  120.00000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    69    70.00000  112.99600
   61    44    47    63.00000  120.00000
   63    57    61    70.00000  120.00000
   63    69    70    35.00000  117.00000
   63    69    76    70.00000  124.00000
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   69    76    79    70.00000  124.00000
   69    76    83    70.00000  124.00000
   76    69    70    35.00000  120.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   76    83    84    35.00000  109.50000
   76    83    85    35.00000  109.50000
   76    83    86    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    76    79    65.00000  117.92700
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   58    54    57    70.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    42   0.56750  1.0 1.0
   29    33    45    42  -0.07550 -1.0 2.0
   29    33    45    42   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    49   0.56750  1.0 1.0
   29    33    45    49  -0.07550 -1.0 2.0
   29    33    45    49   0.20000  1.0 3.0
   33    38   -39    42   2.00000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    45    49    52   0.04150 -1.0 2.0
   33    45    49    71   0.04150 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    45    42  -0.09450  1.0 1.0
   34    33    45    42  -1.12950 -1.0 2.0
   34    33    45    42   0.54000  1.0 3.0
   34    33    45    46   0.23400  1.0 3.0
   34    33    45    49  -0.64350  1.0 1.0
   34    33    45    49  -0.04200 -1.0 2.0
   34    33    45    49   0.19800  1.0 3.0
   38    33   -45    42  -0.98800  1.0 1.0
   38    33   -45    42   0.48800 -1.0 2.0
   38    33   -45    42   0.76800  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    49   0.21200  1.0 1.0
   38    33    45    49   0.16900 -1.0 2.0
   38    33    45    49  -1.15100  1.0 3.0
   38    39    42    43   3.00000 -1.0 2.0
   38    39   -42    45   0.82650  1.0 1.0
   38    39   -42    45   1.69000 -1.0 2.0
   38    40    44    47   0.15800  1.0 1.0
   38    40    44    47   1.85350 -1.0 2.0
   38    40    44    47  -0.48700  1.0 3.0
   38    40    44    61   0.15800  1.0 1.0
   38    40    44    61   1.85350 -1.0 2.0
   38    40    44    61  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42   -45    33   0.36750  1.0 3.0
   39    42    45    46   0.00000  1.0 1.0
   39    42    45    49   0.40000  1.0 3.0
   42    45    49    52   0.04300 -1.0 2.0
   42    45    49    71   0.04300 -1.0 2.0
   43    42    45    33   0.30150 -1.0 2.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    49   0.30150 -1.0 2.0
   45    33   -38    39   0.09700  1.0 1.0
   45    33   -38    39   0.15600 -1.0 2.0
   45    33   -38    39  -0.50800  1.0 3.0
   45    33    38    40   0.09850  1.0 1.0
   45    33    38    40   0.15250 -1.0 2.0
   45    33    38    40  -0.50650  1.0 3.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49    52    55   3.62500 -1.0 2.0
   45    49    71    66   3.62500 -1.0 2.0
   45    49    71    72   3.62500 -1.0 2.0
   46    45    49    52   0.00000  1.0 1.0
   46    45    49    71   0.00000  1.0 1.0
   49    52    55    56   3.62500 -1.0 2.0
   49    52    55    60   3.62500 -1.0 2.0
   52    49    71    66   3.62500 -1.0 2.0
   52    49    71    72   3.62500 -1.0 2.0
   52    55   -60    66   3.62500 -1.0 2.0
   52    55    60    67   3.62500 -1.0 2.0
   53    52    55    56   3.62500 -1.0 2.0
   53    52    55    60   3.62500 -1.0 2.0
   55    60    66    71   3.62500 -1.0 2.0
   55    60    66    73   3.62500 -1.0 2.0
   55    60    67    68   0.84100 -1.0 2.0
   56    55    60    66   3.62500 -1.0 2.0
   56    55    60    67   3.62500 -1.0 2.0
   60    66   -71    49   3.62500 -1.0 2.0
   60    66    71    72   3.62500 -1.0 2.0
   60    66    73    74   0.00000  1.0 1.0
   60    66    73    75   0.00000  1.0 1.0
   60    66    73    77   0.18050 -1.0 2.0
   66    60    67    68   0.84100 -1.0 2.0
   66    73    77    78   0.00000  1.0 1.0
   66    73    77    87   1.44450  1.0 1.0
   66    73    77    87   0.06600 -1.0 2.0
   66    73    77    87   0.29250  1.0 3.0
   71    49    52    53   3.62500 -1.0 2.0
   71    49   -52    55   3.62500 -1.0 2.0
   71    66    73    74   0.00000  1.0 1.0
   71    66    73    75   0.00000  1.0 1.0
   71    66    73    77   0.18050 -1.0 2.0
   73    66    71    49   3.62500 -1.0 2.0
   73    66    71    72   3.62500 -1.0 2.0
   73    77    87    88   7.00000 -1.0 2.0
   73    77    87    92   7.00000 -1.0 2.0
   74    73    77    78   0.33100  1.0 3.0
   74    73    77    87   0.00000  1.0 1.0
   75    73    77    78   0.33100  1.0 3.0
   75    73    77    87   0.00000  1.0 1.0
   77    87    88    89   0.00000  1.0 1.0
   77    87    88    90   0.00000  1.0 1.0
   77    87    88    91   0.00000  1.0 1.0
   77    87    92    93   0.00000  1.0 1.0
   77    87    92    94   0.00000  1.0 1.0
   77    87    92    95   0.00000  1.0 1.0
   78    77    87    88   7.00000 -1.0 2.0
   78    77    87    92   7.00000 -1.0 2.0
   88    87    92    93   0.34800  1.0 3.0
   88    87    92    94   0.34800  1.0 3.0
   88    87    92    95   0.34800  1.0 3.0
   92    87    88    89   0.34800  1.0 3.0
   92    87    88    90   0.34800  1.0 3.0
   92    87    88    91   0.34800  1.0 3.0
   67    60    66    71   3.62500 -1.0 2.0
   67    60    66    73   3.62500 -1.0 2.0
   40    38    39    42  -1.93650  1.0 1.0
   40    38    39    42   2.17750 -1.0 2.0
   40    38    39    42  -0.40250  1.0 3.0
   40    44    47    48   3.62500 -1.0 2.0
   40    44    47    50   3.62500 -1.0 2.0
   40    44    61    57   3.62500 -1.0 2.0
   40    44    61    62   3.62500 -1.0 2.0
   41    40    44    47   0.56550  1.0 3.0
   41    40    44    61   0.56550  1.0 3.0
   44    47    50    51   3.62500 -1.0 2.0
   44    47    50    54   3.62500 -1.0 2.0
   47    44    61    57   3.62500 -1.0 2.0
   47    44    61    62   3.62500 -1.0 2.0
   47    50   -54    57   3.62500 -1.0 2.0
   47    50    54    58   3.62500 -1.0 2.0
   48    47    50    51   3.62500 -1.0 2.0
   48    47    50    54   3.62500 -1.0 2.0
   50    54    57    61   3.62500 -1.0 2.0
   50    54    57    63   3.62500 -1.0 2.0
   50    54    58    59   0.84100 -1.0 2.0
   51    50    54    57   3.62500 -1.0 2.0
   51    50    54    58   3.62500 -1.0 2.0
   54    57   -61    44   3.62500 -1.0 2.0
   54    57    61    62   3.62500 -1.0 2.0
   54    57    63    64   0.00000  1.0 1.0
   54    57    63    65   0.00000  1.0 1.0
   54    57    63    69   0.18050 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    63    69    70   0.00000  1.0 1.0
   57    63    69    76   1.44450  1.0 1.0
   57    63    69    76   0.06600 -1.0 2.0
   57    63    69    76   0.29250  1.0 3.0
   61    44    47    48   3.62500 -1.0 2.0
   61    44   -47    50   3.62500 -1.0 2.0
   61    57    63    64   0.00000  1.0 1.0
   61    57    63    65   0.00000  1.0 1.0
   61    57    63    69   0.18050 -1.0 2.0
   63    57    61    44   3.62500 -1.0 2.0
   63    57    61    62   3.62500 -1.0 2.0
   63    69    76    79   7.00000 -1.0 2.0
   63    69    76    83   7.00000 -1.0 2.0
   64    63    69    70   0.33100  1.0 3.0
   64    63    69    76   0.00000  1.0 1.0
   65    63    69    70   0.33100  1.0 3.0
   65    63    69    76   0.00000  1.0 1.0
   69    76    79    80   0.00000  1.0 1.0
   69    76    79    81   0.00000  1.0 1.0
   69    76    79    82   0.00000  1.0 1.0
   69    76    83    84   0.00000  1.0 1.0
   69    76    83    85   0.00000  1.0 1.0
   69    76    83    86   0.00000  1.0 1.0
   70    69    76    79   7.00000 -1.0 2.0
   70    69    76    83   7.00000 -1.0 2.0
   79    76    83    84   0.34800  1.0 3.0
   79    76    83    85   0.34800  1.0 3.0
   79    76    83    86   0.34800  1.0 3.0
   83    76    79    80   0.34800  1.0 3.0
   83    76    79    81   0.34800  1.0 3.0
   83    76    79    82   0.34800  1.0 3.0
   58    54    57    61   3.62500 -1.0 2.0
   58    54    57    63   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   39    45    42    43  10.50000 -1.0 2.0
   52    71    49    45   4.00000 -1.0 2.0
   55    53    52    49   1.10000 -1.0 2.0
   60    56    55    52   1.10000 -1.0 2.0
   66    67    60    55   4.00000 -1.0 2.0
   71    73    66    60   4.00000 -1.0 2.0
   66    72    71    49   1.10000 -1.0 2.0
   73    78    77    87  15.00000 -1.0 2.0
   88    92    87    77  15.00000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   47    61    44    40   4.00000 -1.0 2.0
   50    48    47    44   1.10000 -1.0 2.0
   54    51    50    47   1.10000 -1.0 2.0
   57    58    54    50   4.00000 -1.0 2.0
   61    63    57    54   4.00000 -1.0 2.0
   57    62    61    44   1.10000 -1.0 2.0
   63    70    69    76  15.00000 -1.0 2.0
   79    83    76    69  15.00000 -1.0 2.0
END
