* LIGAND DATABASE FILE (OPLS2005)
*
001      95    96    167    247     482
    1     0 S   NP   _N1_     1    29.01151    96.91327   -24.72395
    2     1 S   H    _HN1     2     1.02836    42.34966  -170.72672
    3     1 S   H    _H1_     3     1.02777   107.55277   -73.19964
    4     1 S   H    _H2_     4     1.02951    67.06112    29.80345
    5     1 S   CT   _CA1     5     1.50060   138.15721   125.25998
    6     5 S   HC   _HA1     6     1.09514   105.15023    99.27681
    7     5 S   CO3  _C1_     7     1.53780   112.61193   -20.70197
    8     7 S   O2Z  _O11     8     1.26359   114.98659   -41.57614
    9     7 S   O2Z  _O12     9     1.26263   114.95757   137.75896
   10     5 S   CT   _CB1    10     1.53151   107.48138  -142.82411
   11    10 S   HC   HB11    11     1.09811   109.31123   -51.77510
   12    10 S   HC   HB12    12     1.09803   110.51327    64.90976
   13    10 S   CT   _CG1    13     1.52828   112.39265  -172.87349
   14    13 S   HC   HG11    14     1.09586   110.38936   -65.64855
   15    13 S   HC   HG12    15     1.09499   109.72502    53.53480
   16    13 S   C    _CD1    16     1.51619   113.02004   173.56532
   17    16 S   O    _OE1    17     1.22691   123.44289    -0.88227
   18    16 S   N    _N2_    18     1.38622   111.26693   179.46808
   19    18 S   H    _HN2    19     1.01606   119.03704     0.06853
   20    18 S   CT1  _CA2    20     1.45887   123.48136   178.46125
   21    20 S   HC   _HA2    21     1.09632   109.23801   -13.22656
   22    20 S   C    _C2_    22     1.53594   109.02302  -129.01332
   23    22 S   O    _O2_    23     1.23087   122.10275  -154.47765
   24    20 S   CT   _CB2    32     1.53106   111.51399   109.32821
   25    24 S   HC   HB21    33     1.09515   109.87913    56.45472
   26    24 S   HC   HB22    34     1.09282   110.54905   174.07097
   27    22 S   N    _N3_    24     1.38277   113.92551    32.82452
   28    27 S   H    _HN3    25     1.01616   119.43481    -1.48174
   29    24 S   S    _SG2    35     1.82427   114.70876   -64.04929
   30    27 S   CT   _CA3    26     1.45325   123.06355   176.96017
   31    30 S   HC   HA31    27     1.09528   107.33768   -76.49908
   32    30 S   HC   HA32    28     1.09531   108.52089    39.87829
   33    29 S   CT   _C17    36     1.82554    99.33325   -74.28855
   34    33 S   HC   _H19    37     1.09460   109.27825   -39.36275
   35    33 S   HC   _H20    38     1.09430   108.38033    78.32551
   36    30 S   CO3  _C3_    29     1.52810   113.50761   163.24441
   37    36 S   O2Z  _O31    30     1.26372   115.58954    30.33746
   38    36 S   O2Z  _O32    31     1.26363   114.76882  -150.04994
   39    33 S   CT   _C16    39     1.52577   111.27833  -161.24066
   40    39 S   HC   _H17    40     1.09638   110.06401  -175.10415
   41    39 S   HC   _H18    41     1.09672   110.67753   -57.65301
   42    39 S   CO4  _C15    42     1.51153   113.26753    64.49424
   43    42 S   O    _O35    43     1.22428   123.62360  -121.50142
   44    42 S   OS   _O34    44     1.36330   110.40660    58.95500
   45    44 S   CT   _C14    45     1.44260   117.01658  -176.03488
   46    45 S   HC   _H15    46     1.09489   106.56366  -156.47958
   47    45 S   HC   _H16    47     1.09549   110.37422   -39.36755
   48    45 S   CT   _C13    48     1.52576   109.76706    83.78788
   49    48 S   HC   _H13    49     1.09622   109.34164   -53.14935
   50    48 S   HC   _H14    50     1.09534   109.65079  -174.15162
   51    48 S   OS   _O33    51     1.43150   107.86940    67.26760
   52    51 S   CA   _C10    52     1.36800   116.51729  -161.54415
   53    52 S   CA   _C9_    53     1.39277   125.71132   -18.37971
   54    53 S   HA   _H10    54     1.08589   121.62775    -2.04316
   55    53 S   CA   _C8_    55     1.40174   120.32269   177.59710
   56    55 S   HA   _H9_    56     1.08611   117.18245  -178.95395
   57    55 S   CA   _C7_    57     1.40466   121.46110     0.07402
   58    57 S   CA   _C12    58     1.40717   117.20134     1.17370
   59    58 S   HA   _H12    59     1.08754   120.73783  -178.78115
   60    57 S   CT   _C5_    62     1.54507   122.89503  -176.71115
   61    52 S   CA   _C11    60     1.39349   115.24660   161.46817
   62    61 S   HA   _H11    61     1.08746   120.24103     0.59314
   63    60 S   CA   _C18    63     1.54620   109.71442   109.61927
   64    60 S   CT   _C4_    88     1.55538   108.08240  -125.91262
   65    64 S   HC   _H3_    89     1.09739   110.91622    57.68362
   66    64 S   HC   _H4_    90     1.09703   111.36203   177.14213
   67    64 S   HC   _H5_    91     1.09529   113.15896   -62.28529
   68    60 S   CT   _C6_    92     1.55554   113.51228   -10.75250
   69    68 S   HC   _H6_    93     1.09695   111.31539   -59.37867
   70    68 S   HC   _H7_    94     1.09549   113.14256    61.42235
   71    68 S   HC   _H8_    95     1.09746   110.93148  -178.91538
   72    63 S   CA   _C19    64     1.40247   123.04034   115.66019
   73    72 S   HA   _H21    65     1.08578   121.57201    -0.32325
   74    72 S   CA   _C20    66     1.40026   121.08681   179.53186
   75    74 S   HA   _H22    67     1.08805   119.11366  -179.79729
   76    74 S   CA   _C21    68     1.39527   120.89743    -0.29409
   77    76 S   CA   _C22    69     1.39193   118.94480     1.41222
   78    77 S   HA   _H23    70     1.08548   121.94699   178.55409
   79    76 S   OS   _O36    73     1.36862   115.31095  -179.26832
   80    63 S   CA   _C23    71     1.40955   119.81504   -63.70648
   81    80 S   HA   _H24    72     1.08801   120.39044     0.92978
   82    79 S   CT   _C24    74     1.43084   116.60099   166.05291
   83    82 S   HC   _H25    75     1.09629   110.00746   -52.57172
   84    82 S   HC   _H26    76     1.09494   109.47781    69.10077
   85    82 S   CT   _C25    77     1.52367   108.27157  -171.30668
   86    85 S   HC   _H27    78     1.09542   109.69061   171.15238
   87    85 S   HC   _H28    79     1.09575   110.49722    49.51884
   88    85 S   OS   _O37    80     1.43772   108.59482   -69.61374
   89    88 S   CO4  _C26    81     1.35861   115.46968  -175.96303
   90    89 S   O    _O38    82     1.22071   126.97232    -0.21580
   91    89 S   CM   _C27    83     1.47739   107.71633   179.23587
   92    91 S   HC   _H29    84     1.08407   118.83429     2.48640
   93    91 S   CM   _C28    85     1.33642   120.26978  -177.55648
   94    93 S   HC   _H30    86     1.08492   120.11530  -179.78694
   95    93 S   HC   _H31    87     1.08479   122.32174    -0.07662
  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   7   5   4   3
   8   5   4   2   1   1   6   4   3   6   2   7   7   5   4   6
   3   2   7   9   8   4   9   3  16   7   3  16   1   1  17   9
   3   2   1   5   2   1   1   8   4   7   3   9   5   3   8   1
   1   7   5   4   6   3   2   5   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    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    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45  
   41    42    43    44  
   42    43    44  
   43    44    45    46    47    48  
   44    45  
   45    46    47    48    49    50    51  
   46    47    48    49    50    51    52  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    61  
   50    51    52  
   51    52  
   52    53    54    55    58    61    62  
   53    54    55    56    57    58    59    61    62  
   54    55    56    57    58    61    62    60  
   55    56    57    61  
   56    57    58    59    61    60    63    64    68  
   57    58    60  
   58    59    61    62    60    63    72    80    64    65    66    67    68    69    70    71  
   59    61    62    60    63    64    68  
   61    62    60  
   63    72    73    74    77    80    81    64    65    66    67    68    69    70    71    61  
   62  
    0  
   72    73    74    75    76    77    78    80    81    64    65    66    67    68    69    70    71  
   65    66    67    68    69    70    71    72    80  
   66    67    68  
   67    68  
   68  
   69    70    71    72    80  
   70    71  
   71  
    0  
   73    74    75    76    77    80    81    79  
   74    75    76    80  
   75    76    77    78    80    79    82  
   76    77    79  
   77    78    80    81    79    82    83    84    85  
   78    80    81    79    82  
   80    81    79  
   82    83    84    85    86    87    88    80  
   81  
    0  
   83    84    85    86    87    88    89  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88    89    90    91  
   87    88    89  
   88    89  
   89    90    91    92    93  
   90    91    92    93    94    95  
   91    92    93  
   92    93    94    95  
   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  -0.335000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   2.4200   0.0300   0.115000   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    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   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   317.000  1.522
   42    43   570.000  1.229
   42    44   214.000  1.327
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   320.000  1.410
   51    52   450.000  1.364
   52    53   469.000  1.400
   52    61   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   469.000  1.400
   57    60   317.000  1.510
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    62   367.000  1.080
   60    63   317.000  1.510
   60    64   268.000  1.529
   60    68   268.000  1.529
   63    72   469.000  1.400
   63    80   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    79   450.000  1.364
   77    78   367.000  1.080
   77    80   469.000  1.400
   80    81   367.000  1.080
   79    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   214.000  1.327
   89    90   570.000  1.229
   89    91   320.000  1.462
   91    92   340.000  1.080
   91    93   549.000  1.340
   93    94   340.000  1.080
   93    95   340.000  1.080
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    63.00000  111.10000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    80.00000  120.40000
   39    42    44    81.00000  111.40000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    44    45    83.00000  116.90000
   44    42    43    83.00000  123.40000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    50.00000  109.50000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    50.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    75.00000  111.00000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53    70.00000  120.00000
   51    52    61    70.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    55    63.00000  120.00000
   52    61    58    63.00000  120.00000
   52    61    62    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    63.00000  120.00000
   55    57    60    70.00000  120.00000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    61    63.00000  120.00000
   57    60    63    70.00000  112.04700
   57    60    64    70.00000  112.17500
   57    60    68    70.00000  112.17500
   58    61    62    35.00000  120.00000
   61    52    53    63.00000  120.00000
   61    58    59    35.00000  120.00000
   60    57    58    70.00000  120.00000
   60    63    72    70.00000  120.00000
   60    63    80    70.00000  120.00000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    71    37.50000  110.70000
   63    72    73    35.00000  120.00000
   63    72    74    63.00000  120.00000
   63    80    77    63.00000  120.00000
   63    80    81    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    79    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    80    63.00000  120.00000
   76    79    82    75.00000  111.00000
   77    80    81    35.00000  120.00000
   80    63    72    63.00000  120.00000
   80    77    78    35.00000  120.00000
   79    76    77    70.00000  120.00000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    50.00000  109.50000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    50.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    88    89    83.00000  116.90000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   88    89    90    83.00000  123.40000
   88    89    91    90.00000  111.29400
   89    91    92    40.00000  117.72500
   89    91    93    65.00000  118.96000
   91    89    90    80.00000  123.72100
   91    93    94    35.00000  120.00000
   91    93    95    35.00000  120.00000
   93    91    92    35.00000  120.00000
   95    93    94    35.00000  117.00000
   64    60    63    70.00000  112.17500
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    60    63    70.00000  112.17500
   68    60    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.30150 -1.0 2.0
   33    39    42    44   0.36750  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42  -0.11250  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42  -0.11250  1.0 3.0
   39    42    44    45   1.63150  1.0 1.0
   39    42    44    45   2.92000 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    44   0.00000  1.0 1.0
   42    44    45    46   0.08050  1.0 3.0
   42    44    45    47   0.08050  1.0 3.0
   42    44    45    48  -0.25900  1.0 1.0
   42    44    45    48  -0.47000 -1.0 2.0
   42    44    45    48   0.11750  1.0 3.0
   43    42    44    45   3.00000 -1.0 2.0
   44    45    48    49   0.23400  1.0 3.0
   44    45    48    50   0.23400  1.0 3.0
   44    45    48    51   1.11900  1.0 1.0
   44    45    48    51  -1.16350 -1.0 2.0
   44    45    48    51  -0.34150  1.0 3.0
   45    48    51    52  -0.32850  1.0 1.0
   45    48    51    52  -0.35800 -1.0 2.0
   45    48    51    52   0.33950  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.23400  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.23400  1.0 3.0
   48    51    52    53   1.63200 -1.0 2.0
   48    51    52    61   1.63200 -1.0 2.0
   49    48    51    52   0.08050  1.0 3.0
   50    48    51    52   0.08050  1.0 3.0
   51    52    53    54   3.62500 -1.0 2.0
   51    52    53    55   3.62500 -1.0 2.0
   51    52    61    58   3.62500 -1.0 2.0
   51    52    61    62   3.62500 -1.0 2.0
   52    53    55    56   3.62500 -1.0 2.0
   52    53    55    57   3.62500 -1.0 2.0
   53    52    61    58   3.62500 -1.0 2.0
   53    52    61    62   3.62500 -1.0 2.0
   53    55   -57    58   3.62500 -1.0 2.0
   53    55    57    60   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    58    59   3.62500 -1.0 2.0
   55    57    58    61   3.62500 -1.0 2.0
   55    57    60    63   0.04300 -1.0 2.0
   55    57    60    64   0.04150 -1.0 2.0
   55    57    60    68   0.04150 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   57    58   -61    52   3.62500 -1.0 2.0
   57    58    61    62   3.62500 -1.0 2.0
   57    60    63    72   0.04300 -1.0 2.0
   57    60    63    80   0.04300 -1.0 2.0
   57    60    64    65   0.43200  1.0 3.0
   57    60    64    66   0.43200  1.0 3.0
   57    60    64    67   0.43200  1.0 3.0
   57    60    68    69   0.43200  1.0 3.0
   57    60    68    70   0.43200  1.0 3.0
   57    60    68    71   0.43200  1.0 3.0
   58    57    60    63   0.04300 -1.0 2.0
   58    57    60    64   0.04150 -1.0 2.0
   58    57    60    68   0.04150 -1.0 2.0
   59    58    61    52   3.62500 -1.0 2.0
   59    58    61    62   3.62500 -1.0 2.0
   61    52    53    54   3.62500 -1.0 2.0
   61    52   -53    55   3.62500 -1.0 2.0
   60    57    58    59   3.62500 -1.0 2.0
   60    57    58    61   3.62500 -1.0 2.0
   60    63    72    73   3.62500 -1.0 2.0
   60    63    72    74   3.62500 -1.0 2.0
   60    63    80    77   3.62500 -1.0 2.0
   60    63    80    81   3.62500 -1.0 2.0
   63    60    64    65   0.43200  1.0 3.0
   63    60    64    66   0.43200  1.0 3.0
   63    60    64    67   0.43200  1.0 3.0
   63    60    68    69   0.43200  1.0 3.0
   63    60    68    70   0.43200  1.0 3.0
   63    60    68    71   0.43200  1.0 3.0
   63    72    74    75   3.62500 -1.0 2.0
   63    72    74    76   3.62500 -1.0 2.0
   72    63    80    77   3.62500 -1.0 2.0
   72    63    80    81   3.62500 -1.0 2.0
   72    74   -76    77   3.62500 -1.0 2.0
   72    74    76    79   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    80   3.62500 -1.0 2.0
   74    76    79    82   1.63200 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    79   3.62500 -1.0 2.0
   76    77   -80    63   3.62500 -1.0 2.0
   76    77    80    81   3.62500 -1.0 2.0
   76    79    82    83   0.08050  1.0 3.0
   76    79    82    84   0.08050  1.0 3.0
   76    79    82    85  -0.32850  1.0 1.0
   76    79    82    85  -0.35800 -1.0 2.0
   76    79    82    85   0.33950  1.0 3.0
   77    76    79    82   1.63200 -1.0 2.0
   78    77    80    63   3.62500 -1.0 2.0
   78    77    80    81   3.62500 -1.0 2.0
   80    63    72    73   3.62500 -1.0 2.0
   80    63   -72    74   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   79    76    77    80   3.62500 -1.0 2.0
   79    82    85    86   0.23400  1.0 3.0
   79    82    85    87   0.23400  1.0 3.0
   79    82    85    88   1.11900  1.0 1.0
   79    82    85    88  -1.16350 -1.0 2.0
   79    82    85    88  -0.34150  1.0 3.0
   82    85    88    89  -0.25900  1.0 1.0
   82    85    88    89  -0.47000 -1.0 2.0
   82    85    88    89   0.11750  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.23400  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.23400  1.0 3.0
   85    88    89    90   3.00000 -1.0 2.0
   85    88    89    91   2.00000 -1.0 2.0
   86    85    88    89   0.08050  1.0 3.0
   87    85    88    89   0.08050  1.0 3.0
   88    89    91    92   1.63100 -1.0 2.0
   88    89    91    93  -0.56150  1.0 1.0
   88    89    91    93   2.19150 -1.0 2.0
   89    91    93    94   7.00000 -1.0 2.0
   89    91    93    95   7.00000 -1.0 2.0
   90    89    91    92   0.00000  1.0 1.0
   90    89    91    93   1.00000 -1.0 2.0
   92    91    93    94   7.00000 -1.0 2.0
   92    91    93    95   7.00000 -1.0 2.0
   64    60    63    72   0.04150 -1.0 2.0
   64    60    63    80   0.04150 -1.0 2.0
   64    60    68    69   0.15000  1.0 3.0
   64    60    68    70   0.15000  1.0 3.0
   64    60    68    71   0.15000  1.0 3.0
   68    60    63    72   0.04150 -1.0 2.0
   68    60    63    80   0.04150 -1.0 2.0
   68    60    64    65   0.15000  1.0 3.0
   68    60    64    66   0.15000  1.0 3.0
   68    60    64    67   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    44    42    43  10.50000 -1.0 2.0
   53    61    52    51   4.00000 -1.0 2.0
   55    54    53    52   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   58    60    57    55   4.00000 -1.0 2.0
   61    59    58    57   1.10000 -1.0 2.0
   58    62    61    52   1.10000 -1.0 2.0
   72    80    63    60   4.00000 -1.0 2.0
   74    73    72    63   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    79    76    74   4.00000 -1.0 2.0
   80    78    77    76   1.10000 -1.0 2.0
   77    81    80    63   1.10000 -1.0 2.0
   88    91    89    90  10.50000 -1.0 2.0
   89    92    91    93  15.00000 -1.0 2.0
   94    95    93    91  15.00000 -1.0 2.0
END
