* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    159    245     468
    1     0 S   NP   _N1_     1    28.89246    94.32976   -24.68258
    2     1 S   H    _HN1     2     1.02959    83.24020    25.47594
    3     1 S   H    _H1_     3     1.02838    24.95634  -172.02883
    4     1 S   H    _H2_     4     1.02780   109.61627   -81.62458
    5     1 S   CT   _CA1     5     1.50122   128.09727   136.15617
    6     5 S   HC   _HA1     6     1.09575   105.22602    79.93647
    7     5 S   CO3  _C1_     7     1.53783   112.41131   -40.28660
    8     7 S   O2Z  _O11     8     1.26365   115.00028   -43.17474
    9     7 S   O2Z  _O12     9     1.26238   114.92680   136.01103
   10     5 S   CT   _CB1    10     1.53093   107.44029  -162.12292
   11    10 S   HC   HB11    11     1.09827   109.33640   -50.47399
   12    10 S   HC   HB12    12     1.09825   110.41736    66.08021
   13    10 S   CT   _CG1    13     1.53025   112.68534  -171.56108
   14    13 S   HC   HG11    14     1.09594   110.45741   -63.98167
   15    13 S   HC   HG12    15     1.09652   109.98693    55.27327
   16    13 S   C    _CD1    16     1.51796   112.27740   175.63381
   17    16 S   O    _OE1    17     1.22731   123.22053    -1.19321
   18    16 S   N    _N2_    18     1.38660   111.67524   178.89076
   19    18 S   H    _HN2    19     1.01580   119.11026     0.68927
   20    18 S   CT1  _CA2    20     1.46123   123.25008  -179.58788
   21    20 S   HC   _HA2    21     1.09575   109.18054   -10.41136
   22    20 S   C    _C2_    22     1.53457   108.67450  -125.54887
   23    22 S   O    _O2_    23     1.23024   122.16094  -147.67165
   24    20 S   CT   _CB2    32     1.53412   111.75269   111.97026
   25    24 S   HC   HB21    33     1.09655   109.57772    61.64254
   26    24 S   HC   HB22    34     1.09568   110.99721   179.04694
   27    22 S   N    _N3_    24     1.38491   113.43690    39.86628
   28    27 S   H    _HN3    25     1.01519   118.88529    -0.91877
   29    24 S   S    _SG2    35     1.82729   114.40477   -58.02568
   30    27 S   CT   _CA3    26     1.45453   123.56083   174.71424
   31    30 S   HC   HA31    27     1.09514   109.36388    22.09213
   32    30 S   HC   HA32    28     1.09497   107.10511   139.15303
   33    29 S   CT   _C22    36     1.82432    99.72555   -70.27285
   34    33 S   HC   _H3_    37     1.09416   110.26342    57.34783
   35    33 S   HC   _H4_    38     1.09442   108.43301   -59.19071
   36    30 S   CO3  _C3_    29     1.52926   112.97789  -101.44057
   37    36 S   O2Z  _O31    30     1.26412   115.36414   -44.79750
   38    36 S   O2Z  _O32    31     1.26345   115.00406   136.07011
   39    33 S   CM   _C9_    39     1.52033   109.98039   177.69879
   40    39 S   CMA  _C10    40     1.36519   122.96693   101.08370
   41    40 S   OM   _O20    41     1.26880   125.51559     0.48295
   42    39 S   CT   _C20    82     1.51639   113.31424   -80.66232
   43    42 S   HC   _H42    83     1.09542   109.95065   -55.22672
   44    42 S   HC   _H43    84     1.09464   110.50550    64.31323
   45    42 S   HC   _H44    85     1.09332   113.92985  -175.03809
   46    40 S   OS   _O26    42     1.41544   111.79422   178.71915
   47    46 S   CT   _C16    43     1.44947   115.68202   129.72749
   48    47 S   HC   _H38    44     1.09692   110.67234    38.38991
   49    47 S   CT   _C12    45     1.55128   106.97242   -80.97975
   50    49 S   HC   _H33    46     1.09609   108.04089   -50.84458
   51    49 S   HC   _H34    47     1.09908   108.87956    60.11490
   52    47 S   CT   _C14    60     1.55726   107.06338   155.12929
   53    52 S   HC   _H36    61     1.09394   109.71293  -168.14313
   54    49 S   CT   _C18    48     1.54480   117.91966  -176.31709
   55    52 S   CM   _C6_    62     1.49386   113.21178   -49.53344
   56    54 S   CT   _C15    49     1.53809   110.35730   157.70009
   57    56 S   HC   _H37    50     1.09456   113.02252    35.47517
   58    55 S   CO4  _C7_    63     1.46856   110.17771   115.10504
   59    58 S   O    _O21    64     1.21785   127.01390  -176.84024
   60    55 S   CM   _C8_    66     1.33642   127.91790   -65.45049
   61    60 S   HC   _H29    67     1.08502   120.72567     0.56924
   62    60 S   HC   _H30    68     1.08489   121.83095  -179.90513
   63    54 S   CT   _C21    78     1.52882   110.28794   -75.44704
   64    63 S   HC   _H45    79     1.09581   111.31001   173.63921
   65    63 S   HC   _H46    80     1.09549   111.04346    56.25292
   66    63 S   HC   _H47    81     1.09461   111.49422   -64.82374
   67    56 S   CT   _C11    51     1.52272   102.35972   -86.34641
   68    67 S   HC   _H31    52     1.09591   109.54742    83.13956
   69    67 S   HC   _H32    53     1.09521   112.70517  -155.77599
   70    84 S   OS   _O22    65     1.45173   107.27976   176.27217
   71    56 S   OH   _O24    76     1.42447   111.48546   156.78819
   72    71 S   HO   _H50    77     0.97230   107.56754   174.57480
   73    67 S   CO   _C17    54     1.53025   102.40193   -34.90995
   74    73 S   CM   _C5_    55     1.52727   113.53608   150.14464
   75    54 S   OS   _O23    73     1.43366   109.31733    42.60347
   76    73 S   OH   _O25    74     1.43141   107.73917   -87.25592
   77    76 S   HO   _H51    75     0.97169   107.04052  -176.27758
   78    74 S   CM   _C4_    56     1.35338   127.37387   -85.15137
   79    78 S   HC   _H28    57     1.09146   116.29141   179.93744
   80    74 S   CT   _C19    69     1.51580   115.06709    92.64088
   81    80 S   HC   _H39    70     1.09527   110.24841   -50.64604
   82    80 S   HC   _H40    71     1.09549   112.62667  -169.98561
   83    80 S   HC   _H41    72     1.09451   110.73833    69.91099
   84    78 S   CT   _C13    58     1.51162   130.60083     6.80250
   85    84 S   HC   _H35    59     1.09307   107.22558    64.83530
  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   6   5   4   3
  10   4   3   2   1   1   8  10   3   4   2   1   1  10  17   8
  17   6   5  14   7  15   9  14   8   8   3   4   1   1   7   3
   2   1  11   6   5   5   3   1  11  11   4   3   1   7   3   4
   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    52    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    51    54    84    52    53    55  
   48    49    50    51    54    56    78    84    85    52    53    55    58    70    60    75    63  
   49    50    51    54    84    52    53    55  
   50    51    54    56    57    67    73    84    52    53    55    75    71    63    64    65    66  
   51    54    56    52    75    63  
   54    56    52    75    63  
   53    55    58    59    70    60    61    62    54    74    78    79    84    85  
   55    58    70    60    78    84    85  
   56    57    67    68    69    73    74    75    76    71    72    63    64    65    66  
   58    59    70    60    61    62    78    84    85  
   57    67    68    69    73    74    75    76    71    72    63    64    65    66  
   67    68    69    73    75    71    72    63  
   59    70    60    61    62    78    84    85  
   70    60    84  
   61    62    70    84  
   62  
    0  
   64    65    66    67    71    73    75  
   65    66    75  
   66    75  
   75  
   68    69    73    74    78    80    75    76    77    71    72  
   69    73    74    75    76    71  
   73    74    75    76    71  
   74    78    79    84    85  
   72    73    75  
    0  
   74    78    79    84    80    81    82    83    75    76    77  
   78    79    84    85    80    81    82    83    75    76    77  
   76    77    78    80  
   77    78    80  
    0  
   79    84    85    80    81    82    83  
   84    85    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   76   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    56   268.000  1.529
   54    75   320.000  1.410
   54    63   268.000  1.529
   56    57   340.000  1.090
   56    67   268.000  1.529
   56    71   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   250.000  1.527
   73    74   317.000  1.510
   73    75   320.000  1.380
   73    76   380.000  1.407
   74    78   549.000  1.340
   74    80   317.000  1.510
   78    79   340.000  1.080
   78    84   317.000  1.510
   84    85   340.000  1.090
   84    52   268.000  1.529
   84    70   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   55    58   320.000  1.462
   55    60   549.000  1.340
   58    59   570.000  1.229
   58    70   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   76    77   553.000  0.945
   71    72   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    52    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    58.35000  112.70000
   47    52    84    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    55    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    54    56    58.35000  112.70000
   49    54    75    50.00000  109.50000
   49    54    63    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    67    58.35000  112.70000
   54    56    71    50.00000  109.50000
   54    75    73    60.00000  109.50000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    66    37.50000  110.70000
   56    67    68    37.50000  110.70000
   56    67    69    37.50000  110.70000
   56    67    73    75.00000  109.43000
   56    71    72    55.00000  108.50000
   67    56    57    37.50000  110.70000
   67    73    74    70.00000  112.02700
   67    73    75    90.00000  108.56700
   67    73    76    90.00000  110.19100
   69    67    68    33.00000  107.80000
   73    67    68    45.00000  108.72000
   73    67    69    45.00000  108.72000
   73    74    78    70.00000  124.00000
   73    74    80    65.00000  117.92700
   73    76    77    70.00000  107.92000
   74    78    79    35.00000  120.00000
   74    78    84    70.00000  124.00000
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    35.00000  109.50000
   78    84    85    35.00000  109.50000
   78    84    52    70.00000  112.02700
   78    84    70    85.00000  110.90400
   84    78    79    35.00000  117.00000
   84    52    53    37.50000  110.70000
   84    52    55    70.00000  112.02700
   84    70    58    83.00000  116.90000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    84    85    37.50000  110.70000
   52    55    58    65.00000  116.34900
   52    55    60    70.00000  124.00000
   55    52    53    35.00000  109.50000
   55    58    59    80.00000  123.72100
   55    58    70    90.00000  111.29400
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   70    84    85    35.00000  109.50000
   70    84    52    50.00000  109.50000
   70    58    59    83.00000  123.40000
   60    55    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   80    74    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   75    54    56    50.00000  109.50000
   75    73    74    85.00000  110.90400
   76    73    74    90.00000  110.39200
   76    73    75   110.00000  112.08000
   71    56    57    35.00000  109.50000
   71    56    67    50.00000  109.50000
   63    54    56    58.35000  112.70000
   63    54    75    50.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.46850  1.0 1.0
   40    46    47    49   0.09300 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    52  -0.46850  1.0 1.0
   40    46    47    52   0.09300 -1.0 2.0
   40    46    47    52  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    54   0.62750  1.0 1.0
   46    47    49    54  -0.30950 -1.0 2.0
   46    47    49    54   0.27300  1.0 3.0
   46    47    52    84   0.62750  1.0 1.0
   46    47    52    84  -0.30950 -1.0 2.0
   46    47    52    84   0.27300  1.0 3.0
   46    47    52    53   0.23400  1.0 3.0
   46    47    52    55   0.61850  1.0 1.0
   46    47    52    55  -0.22750 -1.0 2.0
   46    47    52    55   0.15300  1.0 3.0
   47    49    54    56   0.56750  1.0 1.0
   47    49    54    56  -0.07550 -1.0 2.0
   47    49    54    56   0.20000  1.0 3.0
   47    49    54    75   0.62750  1.0 1.0
   47    49    54    75  -0.30950 -1.0 2.0
   47    49    54    75   0.27300  1.0 3.0
   47    49    54    63   0.56750  1.0 1.0
   47    49    54    63  -0.07550 -1.0 2.0
   47    49    54    63   0.20000  1.0 3.0
   47    52    55    58   0.09700  1.0 1.0
   47    52    55    58   0.15600 -1.0 2.0
   47    52    55    58  -0.50800  1.0 3.0
   47    52    55    60   0.09850  1.0 1.0
   47    52    55    60   0.15250 -1.0 2.0
   47    52    55    60  -0.50650  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    52    84   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    84   0.56750  1.0 1.0
   49    47    52    84  -0.07550 -1.0 2.0
   49    47    52    84   0.20000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    55   0.34400  1.0 1.0
   49    47    52    55   0.09450 -1.0 2.0
   49    47    52    55   0.11100  1.0 3.0
   49    54    56    57   0.15000  1.0 3.0
   49    54    56    67   0.56750  1.0 1.0
   49    54    56    67  -0.07550 -1.0 2.0
   49    54    56    67   0.20000  1.0 3.0
   49    54    56    71   0.86500  1.0 1.0
   49    54    56    71  -0.17500 -1.0 2.0
   49    54    56    71   0.20800  1.0 3.0
   49    54    75    73   0.06250  1.0 1.0
   49    54    75    73  -0.01100 -1.0 2.0
   49    54    75    73   0.28050  1.0 3.0
   49    54    63    64   0.15000  1.0 3.0
   49    54    63    65   0.15000  1.0 3.0
   49    54    63    66   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    75   0.23400  1.0 3.0
   50    49    54    63   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    75   0.23400  1.0 3.0
   51    49    54    63   0.15000  1.0 3.0
   54    56    67    68   0.15000  1.0 3.0
   54    56    67    69   0.15000  1.0 3.0
   54    56   -67    73   3.97050  1.0 1.0
   54    56    71    72  -0.11600  1.0 1.0
   54    56    71    72  -0.09450 -1.0 2.0
   54    56    71    72   0.21250  1.0 3.0
   56    54   -75    73   0.06250  1.0 1.0
   56    54   -75    73  -0.01100 -1.0 2.0
   56    54   -75    73   0.28050  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    66   0.15000  1.0 3.0
   56    67    73    74   0.34400  1.0 1.0
   56    67    73    74   0.09450 -1.0 2.0
   56    67    73    74   0.11100  1.0 3.0
   56    67   -73    75   0.62750  1.0 1.0
   56    67   -73    75  -0.30950 -1.0 2.0
   56    67   -73    75   0.27300  1.0 3.0
   56    67    73    76   0.86500  1.0 1.0
   56    67    73    76  -0.17500 -1.0 2.0
   56    67    73    76   0.20800  1.0 3.0
   57    56    67    68   0.15000  1.0 3.0
   57    56    67    69   0.15000  1.0 3.0
   57    56    67    73   0.15000  1.0 3.0
   57    56    71    72   0.19450  1.0 3.0
   67    56    71    72  -0.11600  1.0 1.0
   67    56    71    72  -0.09450 -1.0 2.0
   67    56    71    72   0.21250  1.0 3.0
   67    73    74    78   0.09850  1.0 1.0
   67    73    74    78   0.15250 -1.0 2.0
   67    73    74    78  -0.50650  1.0 3.0
   67    73    74    80   0.46850  1.0 1.0
   67    73    74    80   0.08550 -1.0 2.0
   67    73    74    80   0.09800  1.0 3.0
   67    73   -75    54   0.06250  1.0 1.0
   67    73   -75    54  -0.01100 -1.0 2.0
   67    73   -75    54   0.28050  1.0 3.0
   67    73    76    77  -0.11600  1.0 1.0
   67    73    76    77  -0.09450 -1.0 2.0
   67    73    76    77   0.21250  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.23400  1.0 3.0
   68    67    73    76   0.23400  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.23400  1.0 3.0
   69    67    73    76   0.23400  1.0 3.0
   73    74    78    79   7.00000 -1.0 2.0
   73    74    78    84   7.00000 -1.0 2.0
   73    74    80    81   0.34800  1.0 3.0
   73    74    80    82   0.34800  1.0 3.0
   73    74    80    83   0.34800  1.0 3.0
   74    73    75    54  -0.77900  1.0 1.0
   74    73    75    54  -0.36900 -1.0 2.0
   74    73    75    54   0.40400  1.0 3.0
   74    73    76    77  -0.07800  1.0 1.0
   74    73    76    77  -0.21500 -1.0 2.0
   74    73    76    77  -0.03150  1.0 3.0
   74    78    84    85   0.00000  1.0 1.0
   74    78    84    52   0.09850  1.0 1.0
   74    78    84    52   0.15250 -1.0 2.0
   74    78    84    52  -0.50650  1.0 3.0
   74    78    84    70   0.39000  1.0 1.0
   74    78    84    70  -0.05800 -1.0 2.0
   74    78    84    70  -0.55150  1.0 3.0
   78    74    80    81   0.00000  1.0 1.0
   78    74    80    82   0.00000  1.0 1.0
   78    74    80    83   0.00000  1.0 1.0
   78    84    52    47   0.34400  1.0 1.0
   78    84    52    47   0.09450 -1.0 2.0
   78    84    52    47   0.11100  1.0 3.0
   78    84    52    53   0.15000  1.0 3.0
   78    84    52    55   0.31000  1.0 1.0
   78    84    52    55   0.14700 -1.0 2.0
   78    84    52    55   0.07550  1.0 3.0
   78    84    70    58  -0.82050  1.0 1.0
   78    84    70    58   0.00600 -1.0 2.0
   78    84    70    58   0.04400  1.0 3.0
   79    78    84    85   0.33100  1.0 3.0
   79    78    84    52   0.00000  1.0 1.0
   79    78    84    70   0.00000  1.0 1.0
   84    52   -55    58   0.09700  1.0 1.0
   84    52   -55    58   0.15600 -1.0 2.0
   84    52   -55    58  -0.50800  1.0 3.0
   84    52    55    60   0.09850  1.0 1.0
   84    52    55    60   0.15250 -1.0 2.0
   84    52    55    60  -0.50650  1.0 3.0
   85    84    52    47   0.15000  1.0 3.0
   85    84    52    53   0.15000  1.0 3.0
   85    84    52    55   0.15000  1.0 3.0
   85    84    70    58   0.08050  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    54   0.56750  1.0 1.0
   52    47    49    54  -0.07550 -1.0 2.0
   52    47    49    54   0.20000  1.0 3.0
   52    84   -70    58  -0.25900  1.0 1.0
   52    84   -70    58  -0.47000 -1.0 2.0
   52    84   -70    58   0.11750  1.0 3.0
   52    55    58    59  -0.64400  1.0 1.0
   52    55    58    59   0.26850 -1.0 2.0
   52    55   -58    70  -0.15000  1.0 1.0
   52    55   -58    70   0.89550 -1.0 2.0
   52    55   -58    70  -0.06900  1.0 3.0
   52    55    60    61   7.00000 -1.0 2.0
   52    55    60    62   7.00000 -1.0 2.0
   53    52    55    58   0.15000  1.0 3.0
   53    52    55    60   0.00000  1.0 1.0
   55    58   -70    84   2.00000 -1.0 2.0
   58    55    60    61   7.00000 -1.0 2.0
   58    55    60    62   7.00000 -1.0 2.0
   59    58    70    84   3.00000 -1.0 2.0
   70    84    52    47   0.62750  1.0 1.0
   70    84    52    47  -0.30950 -1.0 2.0
   70    84    52    47   0.27300  1.0 3.0
   70    84    52    53   0.23400  1.0 3.0
   70    84   -52    55   0.61850  1.0 1.0
   70    84   -52    55  -0.22750 -1.0 2.0
   70    84   -52    55   0.15300  1.0 3.0
   60    55    58    59   1.00000 -1.0 2.0
   60    55    58    70  -0.56150  1.0 1.0
   60    55    58    70   2.19150 -1.0 2.0
   80    74    78    79   7.00000 -1.0 2.0
   80    74    78    84   7.00000 -1.0 2.0
   75    54    56    57   0.23400  1.0 3.0
   75    54   -56    67   0.62750  1.0 1.0
   75    54   -56    67  -0.30950 -1.0 2.0
   75    54   -56    67   0.27300  1.0 3.0
   75    54    56    71   3.69350  1.0 1.0
   75    54    56    71  -1.82950 -1.0 2.0
   75    54    63    64   0.23400  1.0 3.0
   75    54    63    65   0.23400  1.0 3.0
   75    54    63    66   0.23400  1.0 3.0
   75    73    74    78   0.39000  1.0 1.0
   75    73    74    78  -0.05800 -1.0 2.0
   75    73    74    78  -0.55150  1.0 3.0
   75    73    74    80   0.09700  1.0 1.0
   75    73    74    80   0.15600 -1.0 2.0
   75    73    74    80  -0.50800  1.0 3.0
   75    73    76    77  -0.50000  1.0 1.0
   75    73    76    77  -0.73950 -1.0 2.0
   75    73    76    77   0.17150  1.0 3.0
   76    73    74    78   0.67800  1.0 1.0
   76    73    74    78   0.47050 -1.0 2.0
   76    73    74    78  -0.62500  1.0 3.0
   76    73    74    80   0.18000  1.0 1.0
   76    73    74    80   0.16450 -1.0 2.0
   76    73    74    80   0.04450  1.0 3.0
   76    73    75    54  -0.70900  1.0 1.0
   76    73    75    54  -1.18000 -1.0 2.0
   76    73    75    54   0.91650  1.0 3.0
   71    56    67    68   0.23400  1.0 3.0
   71    56    67    69   0.23400  1.0 3.0
   71    56    67    73   0.86500  1.0 1.0
   71    56    67    73  -0.17500 -1.0 2.0
   71    56    67    73   0.20800  1.0 3.0
   63    54    56    57   0.15000  1.0 3.0
   63    54    56    67   0.56750  1.0 1.0
   63    54    56    67  -0.07550 -1.0 2.0
   63    54    56    67   0.20000  1.0 3.0
   63    54    56    71   0.86500  1.0 1.0
   63    54    56    71  -0.17500 -1.0 2.0
   63    54    56    71   0.20800  1.0 3.0
   63    54    75    73   0.06250  1.0 1.0
   63    54    75    73  -0.01100 -1.0 2.0
   63    54    75    73   0.28050  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   73    80    74    78   1.10000 -1.0 2.0
   84    79    78    74   1.10000 -1.0 2.0
   52    58    55    60   1.10000 -1.0 2.0
   55    70    58    59  10.50000 -1.0 2.0
   61    62    60    55   1.10000 -1.0 2.0
END
