* LIGAND DATABASE FILE (OPLS2005)
*
001     103   104    185    271     538
    1     0 S   NP   _N1_     1    29.11442    96.82286   -19.03810
    2     1 S   H    _HN1     2     1.02959    84.24098    30.46523
    3     1 S   H    _H1_     3     1.02836    48.32567   149.49249
    4     1 S   H    _H2_     4     1.02781    75.84482   -80.07666
    5     1 S   CT   _CA1     5     1.50112   158.48870   164.89734
    6     5 S   HC   _HA1     6     1.09581   105.23228    46.96094
    7     5 S   CO3  _C1_     7     1.53745   112.29691   -73.17734
    8     7 S   O2Z  _O11     8     1.26351   115.04067   -47.06137
    9     7 S   O2Z  _O12     9     1.26237   114.88552   132.04900
   10     5 S   CT   _CB1    10     1.53077   107.40558   164.71828
   11    10 S   HC   HB11    11     1.09823   109.22500   -51.91871
   12    10 S   HC   HB12    12     1.09820   110.47395    64.58080
   13    10 S   CT   _CG1    13     1.53007   112.69936  -173.08962
   14    13 S   HC   HG11    14     1.09612   110.35251   -64.20907
   15    13 S   HC   HG12    15     1.09646   110.06624    55.00253
   16    13 S   C    _CD1    16     1.51835   112.25209   175.21832
   17    16 S   O    _OE1    17     1.22730   123.24508    -5.22532
   18    16 S   N    _N2_    18     1.38603   111.66976   175.20045
   19    18 S   H    _HN2    19     1.01596   118.97873     0.63180
   20    18 S   CT1  _CA2    20     1.46260   123.41876  -179.13092
   21    20 S   HC   _HA2    21     1.09728   109.42194   -10.78021
   22    20 S   C    _C2_    22     1.53413   108.37357  -126.53102
   23    22 S   O    _O2_    23     1.23020   122.20558  -145.92793
   24    20 S   CT   _CB2    32     1.53390   111.29435   111.31030
   25    24 S   HC   HB21    33     1.09594   109.55327    55.52966
   26    24 S   HC   HB22    34     1.09492   110.63987   174.37890
   27    22 S   N    _N3_    24     1.38498   113.39663    41.41731
   28    27 S   H    _HN3    25     1.01525   118.90297    -0.73807
   29    24 S   S    _SG2    35     1.82729   111.62792   -65.85316
   30    27 S   CT   _CA3    26     1.45450   123.51952   175.17643
   31    30 S   HC   HA31    27     1.09518   109.33118    22.66006
   32    30 S   HC   HA32    28     1.09499   107.10503   139.67132
   33    29 S   CT   _C13    36     1.84044    99.63317   155.97039
   34    33 S   HC   _H7_    37     1.09240   104.59356   -51.15108
   35    30 S   CO3  _C3_    29     1.52912   113.02234  -100.88363
   36    35 S   O2Z  _O31    30     1.26411   115.36465   -45.72037
   37    35 S   O2Z  _O32    31     1.26350   115.00957   135.19100
   38    33 S   CM   _C12    38     1.51927   107.85536  -167.36683
   39    38 S   HC   _H14    39     1.09077   114.04408   -52.32306
   40    33 S   CT   _C14    56     1.56214   113.38367    67.09863
   41    40 S   HC   _H8_    57     1.09733   109.58520   -65.97167
   42    38 S   CM   _C11    40     1.35217   127.17662   129.68407
   43    40 S   OH   _O33    58     1.42754   110.07304    51.15403
   44    43 S   HO   _H15    59     0.97250   107.42177  -168.37209
   45    42 S   CT   _C10    41     1.51930   126.76358    -2.05919
   46    45 S   HC   _H6_    42     1.09214   112.18251     2.15150
   47    42 S   CO4  _C15    97     1.49386   117.16993   178.25090
   48    47 S   O    _O34    98     1.22230   123.54329   142.04356
   49    45 S   CT   _C9_    43     1.56092   115.15123   124.59112
   50    49 S   HC   _H5_    44     1.09689   108.95829    68.50824
   51    45 S   OS   _O36    90     1.45418   108.08199  -115.64886
   52    47 S   OS   _O35    99     1.36074   110.27309   -41.70613
   53    49 S   CT   _C8_    45     1.54892   115.06873   -54.20402
   54    53 S   HC   _H4_    46     1.09684   108.32054    56.88149
   55    49 S   OS   _O38    67     1.45453   106.98639  -173.42968
   56    51 S   CO4  _C17    91     1.36270   118.02489    91.32739
   57    56 S   O    _O37    92     1.22322   126.47608    -1.17686
   58    52 S   CT   _C16   100     1.43045   115.28162  -177.48300
   59    58 S   HC   _H16   101     1.09326   108.09353  -179.03958
   60    58 S   HC   _H17   102     1.09423   110.22283    62.30476
   61    58 S   HC   _H18   103     1.09423   110.34355   -60.31793
   62    53 S   CM   _C26    47     1.49735   117.47038   175.83708
   63    55 S   CO4  _C19    68     1.36257   118.83125   -96.59328
   64    63 S   O    _O39    69     1.22506   125.60305    -3.62164
   65    56 S   CT   _C18    93     1.49785   109.43205   179.32391
   66    65 S   HC   _H19    94     1.09338   109.93987   -51.28631
   67    65 S   HC   _H20    95     1.09315   109.26657  -169.66869
   68    65 S   HC   _H21    96     1.09243   109.76362    70.59348
   69    62 S   CO4  _C28    48     1.48318   108.21635   151.87015
   70    69 S   O    _O43    49     1.21742   127.00259   167.68624
   71    62 S   CM   _C27    64     1.33551   130.45171   -27.18401
   72    71 S   HC   _H32    65     1.08435   121.45475    -0.83298
   73    71 S   HC   _H33    66     1.08548   121.57195   179.34868
   74    63 S   CT   _C20    70     1.53069   110.74772   176.94303
   75    69 S   OS   _O44    50     1.36656   107.19904   -11.09097
   76    74 S   CT   _C21    71     1.53229   109.95531   -52.30327
   77    76 S   HC   _H22    72     1.09596   110.74422  -173.13030
   78    76 S   HC   _H23    73     1.09477   112.63284    65.37922
   79    76 S   HC   _H24    74     1.09672   110.62508   -55.18856
   80    74 S   CT   _C22    75     1.54715   112.60941    72.99569
   81    80 S   HC   _H9_    76     1.09870   107.54018   174.30560
   82    74 S   OH   _O42    88     1.43087   107.28859  -167.09345
   83    82 S   HO   _H31    89     0.97276   108.34123   -51.08920
   84    53 S   CT   _C7_    51     1.53561   116.31927   -68.72597
   85    84 S   HC   _H3_    52     1.09831   111.36382   -44.47378
   86    80 S   CT   _C23    77     1.52999   113.76704    55.20813
   87    86 S   HC   _H25    78     1.09404   111.37658   -63.01082
   88    86 S   HC   _H26    79     1.09345   111.82317    59.01223
   89    86 S   HC   _H27    80     1.09533   110.51762   179.19327
   90    80 S   OS   _O40    81     1.44507   109.53443   -66.68270
   91    84 S   CM   _C6_    53     1.50051   113.58704    76.68352
   92    91 S   HC   _H13    54     1.09051   112.66559  -107.84976
   93    90 S   CO4  _C24    82     1.36296   117.48361  -149.86111
   94    93 S   O    _O41    83     1.22312   126.42602    -0.38563
   95    91 S   CM   _C5_    55     1.34978   128.67621    59.11692
   96    93 S   CT   _C25    84     1.49814   109.59652  -179.73607
   97    96 S   HC   _H28    85     1.09302   109.96391   -54.44438
   98    96 S   HC   _H29    86     1.09376   109.34141  -173.12696
   99    96 S   HC   _H30    87     1.09212   109.73682    67.56155
  100    95 S   CT   _C4_    60     1.50592   124.63459    14.02946
  101   100 S   HC   _H10    61     1.09504   110.00624   124.30007
  102   100 S   HC   _H11    62     1.09118   113.51283     5.11267
  103   100 S   HC   _H12    63     1.09457   110.76130  -115.68341
  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  13   4  12   5  12   4   1  16   7   8   2
  16   7   8   4  15   8   8   5   4   3   2   1   1   9  12   4
   3   2   1   1   8   3   4   1   1  14   5   9   4   3   2  11
   7   3   1   5   3   5   3   2   1   6   6   2   5   4   4   3
   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    95    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    45    91    95    40    41    43    44   100    47  
   38    39    42    95    40    41    43  
   36    37  
   37  
    0  
   39    42    45    46    49    95    40    41    43    51    47    48    52  
   42    45    40    47  
   41    43    44   100   101   102   103    42    84    91    92    95  
   43    44   100    91    95  
   45    46    49    50    53    55    51    56    47    48    52    58  
   44   100    91    95  
   95  
   46    49    50    53    54    62    84    55    63    51    56    57    65    47    48    52  
   49    50    53    55    51    56    47  
   48    52    58    59    60    61    49    51  
   52    58  
   50    53    54    62    69    75    84    85    91    71    55    63    64    74    51    56  
   53    54    62    84    55    63    51  
   56    57    65    66    67    68    53    55  
   58    59    60    61  
   54    62    69    70    75    84    85    91    92    95    71    72    73    55    63  
   62    69    75    84    85    91    71    55  
   63    64    74    76    80    82    62    84  
   57    65    66    67    68  
   65    66    67    68  
   59    60    61  
   60    61  
   61  
    0  
   69    70    75    84    85    91    71    72    73  
   64    74    76    77    78    79    80    81    86    90    82    83  
   74    76    80    82  
   66    67    68  
   67    68  
   68  
    0  
   70    75    84    85    91    71    72    73  
   75    84    71  
   72    73    75    84  
   73  
    0  
   76    77    78    79    80    81    86    87    88    89    90    93    82    83  
   84    85    91    92    95  
   77    78    79    80    81    86    90    82    83  
   78    79    80    82  
   79    80    82  
   80    82  
   81    86    87    88    89    90    93    94    96    82    83  
   86    87    88    89    90    93    82  
   83    86    90  
    0  
   85    91    92    95   100  
   91    92    95  
   87    88    89    90    93  
   88    89    90  
   89    90  
   90  
   93    94    96    97    98    99  
   92    95   100   101   102   103  
   95   100  
   94    96    97    98    99  
   96    97    98    99  
  100   101   102   103  
   97    98    99  
   98    99  
   99  
    0  
  101   102   103  
  102   103  
  103  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   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   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    45   317.000  1.510
   42    47   320.000  1.462
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   320.000  1.410
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    55   320.000  1.410
   53    54   340.000  1.090
   53    62   317.000  1.510
   53    84   268.000  1.529
   62    69   320.000  1.462
   62    71   549.000  1.340
   69    70   570.000  1.229
   69    75   214.000  1.327
   75    84   320.000  1.410
   84    85   340.000  1.090
   84    91   317.000  1.510
   91    92   340.000  1.080
   91    95   549.000  1.340
   95    40   317.000  1.510
   95   100   317.000  1.510
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   71    72   340.000  1.080
   71    73   340.000  1.080
   55    63   214.000  1.327
   63    64   570.000  1.229
   63    74   317.000  1.522
   74    76   268.000  1.529
   74    80   268.000  1.529
   74    82   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    86   268.000  1.529
   80    90   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    93   214.000  1.327
   93    94   570.000  1.229
   93    96   317.000  1.522
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   82    83   553.000  0.945
   51    56   214.000  1.327
   56    57   570.000  1.229
   56    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   47    48   570.000  1.229
   47    52   214.000  1.327
   52    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    95    70.00000  112.02700
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    45    70.00000  124.00000
   38    42    47    65.00000  118.96000
   42    38    39    35.00000  120.00000
   42    45    46    35.00000  109.50000
   42    45    49    70.00000  112.02700
   42    45    51    85.00000  110.90400
   42    47    48    80.00000  123.72100
   42    47    52    90.00000  111.29400
   45    49    50    37.50000  110.70000
   45    49    53    58.35000  112.70000
   45    49    55    50.00000  109.50000
   45    51    56    83.00000  116.90000
   49    45    46    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    62    70.00000  112.02700
   49    53    84    58.35000  112.70000
   49    55    63    83.00000  116.90000
   53    49    50    37.50000  110.70000
   53    62    69    65.00000  116.34900
   53    62    71    70.00000  124.00000
   53    84    75    50.00000  109.50000
   53    84    85    37.50000  110.70000
   53    84    91    70.00000  112.02700
   62    53    54    35.00000  109.50000
   62    69    70    80.00000  123.72100
   62    69    75    90.00000  111.29400
   62    71    72    35.00000  120.00000
   62    71    73    35.00000  120.00000
   69    75    84    83.00000  116.90000
   75    69    70    83.00000  123.40000
   75    84    85    35.00000  109.50000
   75    84    91    85.00000  110.90400
   84    53    54    37.50000  110.70000
   84    53    62    70.00000  112.02700
   84    91    92    35.00000  117.00000
   84    91    95    70.00000  124.00000
   91    84    85    35.00000  109.50000
   91    95    40    70.00000  124.00000
   91    95   100    70.00000  124.00000
   95    91    92    35.00000  120.00000
   95    40    41    35.00000  109.50000
   95    40    43    90.00000  110.39200
   95   100   101    35.00000  109.50000
   95   100   102    35.00000  109.50000
   95   100   103    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
  100    95    40    65.00000  117.92700
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   71    62    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   55    49    50    35.00000  109.50000
   55    49    53    50.00000  109.50000
   55    63    64    83.00000  123.40000
   55    63    74    81.00000  111.40000
   63    74    76    63.00000  111.10000
   63    74    80    63.00000  111.10000
   63    74    82    90.00000  109.61100
   74    63    64    80.00000  120.40000
   74    76    77    37.50000  110.70000
   74    76    78    37.50000  110.70000
   74    76    79    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    86    58.35000  112.70000
   74    80    90    50.00000  109.50000
   74    82    83    55.00000  108.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    74    76    58.35000  112.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    37.50000  110.70000
   80    90    93    83.00000  116.90000
   86    80    81    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    80    81    35.00000  109.50000
   90    80    86    50.00000  109.50000
   90    93    94    83.00000  123.40000
   90    93    96    81.00000  111.40000
   93    96    97    35.00000  109.50000
   93    96    98    35.00000  109.50000
   93    96    99    35.00000  109.50000
   96    93    94    80.00000  120.40000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   82    74    76    50.00000  109.50000
   82    74    80    50.00000  109.50000
   51    45    46    35.00000  109.50000
   51    45    49    50.00000  109.50000
   51    56    57    83.00000  123.40000
   51    56    65    81.00000  111.40000
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    35.00000  109.50000
   65    56    57    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   47    42    45    65.00000  116.34900
   47    52    58    83.00000  116.90000
   52    47    48    83.00000  123.40000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    95   0.56750  1.0 1.0
   29    33    40    95  -0.07550 -1.0 2.0
   29    33    40    95   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    45   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   33    40    43    44  -0.11600  1.0 1.0
   33    40    43    44  -0.09450 -1.0 2.0
   33    40    43    44   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    95   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    95   0.31000  1.0 1.0
   38    33    40    95   0.14700 -1.0 2.0
   38    33    40    95   0.07550  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   1.05650  1.0 1.0
   38    33    40    43   0.15600 -1.0 2.0
   38    33    40    43   0.53150  1.0 3.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    49   0.09850  1.0 1.0
   38    42    45    49   0.15250 -1.0 2.0
   38    42    45    49  -0.50650  1.0 3.0
   38    42    45    51   0.39000  1.0 1.0
   38    42    45    51  -0.05800 -1.0 2.0
   38    42    45    51  -0.55150  1.0 3.0
   38    42    47    48   1.00000 -1.0 2.0
   38    42    47    52  -0.56150  1.0 1.0
   38    42    47    52   2.19150 -1.0 2.0
   39    38    42    45   7.00000 -1.0 2.0
   39    38    42    47   7.00000 -1.0 2.0
   42    45    49    50   0.15000  1.0 3.0
   42    45    49    53   0.34400  1.0 1.0
   42    45    49    53   0.09450 -1.0 2.0
   42    45    49    53   0.11100  1.0 3.0
   42    45    49    55   0.61850  1.0 1.0
   42    45    49    55  -0.22750 -1.0 2.0
   42    45    49    55   0.15300  1.0 3.0
   42    45    51    56  -0.82050  1.0 1.0
   42    45    51    56   0.00600 -1.0 2.0
   42    45    51    56   0.04400  1.0 3.0
   42    47    52    58   2.00000 -1.0 2.0
   45    42    47    48  -0.64400  1.0 1.0
   45    42    47    48   0.26850 -1.0 2.0
   45    42    47    52  -0.15000  1.0 1.0
   45    42    47    52   0.89550 -1.0 2.0
   45    42    47    52  -0.06900  1.0 3.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    62   0.34400  1.0 1.0
   45    49    53    62   0.09450 -1.0 2.0
   45    49    53    62   0.11100  1.0 3.0
   45    49    53    84   0.56750  1.0 1.0
   45    49    53    84  -0.07550 -1.0 2.0
   45    49    53    84   0.20000  1.0 3.0
   45    49    55    63  -0.25900  1.0 1.0
   45    49    55    63  -0.47000 -1.0 2.0
   45    49    55    63   0.11750  1.0 3.0
   45    51    56    57   3.00000 -1.0 2.0
   45    51    56    65   1.63150  1.0 1.0
   45    51    56    65   2.92000 -1.0 2.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    53   0.15000  1.0 3.0
   46    45    49    55   0.23400  1.0 3.0
   46    45    51    56   0.08050  1.0 3.0
   49    45    51    56  -0.25900  1.0 1.0
   49    45    51    56  -0.47000 -1.0 2.0
   49    45    51    56   0.11750  1.0 3.0
   49    53    62    69   0.09700  1.0 1.0
   49    53    62    69   0.15600 -1.0 2.0
   49    53    62    69  -0.50800  1.0 3.0
   49    53    62    71   0.09850  1.0 1.0
   49    53    62    71   0.15250 -1.0 2.0
   49    53    62    71  -0.50650  1.0 3.0
   49    53    84    75   0.62750  1.0 1.0
   49    53    84    75  -0.30950 -1.0 2.0
   49    53    84    75   0.27300  1.0 3.0
   49    53    84    85   0.15000  1.0 3.0
   49    53    84    91   0.34400  1.0 1.0
   49    53    84    91   0.09450 -1.0 2.0
   49    53    84    91   0.11100  1.0 3.0
   49    55    63    64   3.00000 -1.0 2.0
   49    55    63    74   1.63150  1.0 1.0
   49    55    63    74   2.92000 -1.0 2.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    62   0.15000  1.0 3.0
   50    49    53    84   0.15000  1.0 3.0
   50    49    55    63   0.08050  1.0 3.0
   53    49    55    63  -0.25900  1.0 1.0
   53    49    55    63  -0.47000 -1.0 2.0
   53    49    55    63   0.11750  1.0 3.0
   53    62    69    70  -0.64400  1.0 1.0
   53    62    69    70   0.26850 -1.0 2.0
   53    62   -69    75  -0.15000  1.0 1.0
   53    62   -69    75   0.89550 -1.0 2.0
   53    62   -69    75  -0.06900  1.0 3.0
   53    62    71    72   7.00000 -1.0 2.0
   53    62    71    73   7.00000 -1.0 2.0
   53    84    91    92   0.00000  1.0 1.0
   53    84    91    95   0.09850  1.0 1.0
   53    84    91    95   0.15250 -1.0 2.0
   53    84    91    95  -0.50650  1.0 3.0
   54    53    62    69   0.15000  1.0 3.0
   54    53    62    71   0.00000  1.0 1.0
   54    53    84    75   0.23400  1.0 3.0
   54    53    84    85   0.15000  1.0 3.0
   54    53    84    91   0.15000  1.0 3.0
   62    53   -84    75   0.61850  1.0 1.0
   62    53   -84    75  -0.22750 -1.0 2.0
   62    53   -84    75   0.15300  1.0 3.0
   62    53    84    85   0.15000  1.0 3.0
   62    53    84    91   0.31000  1.0 1.0
   62    53    84    91   0.14700 -1.0 2.0
   62    53    84    91   0.07550  1.0 3.0
   62    69   -75    84   2.00000 -1.0 2.0
   69    62    71    72   7.00000 -1.0 2.0
   69    62    71    73   7.00000 -1.0 2.0
   69    75   -84    53  -0.25900  1.0 1.0
   69    75   -84    53  -0.47000 -1.0 2.0
   69    75   -84    53   0.11750  1.0 3.0
   69    75    84    85   0.08050  1.0 3.0
   69    75    84    91  -0.82050  1.0 1.0
   69    75    84    91   0.00600 -1.0 2.0
   69    75    84    91   0.04400  1.0 3.0
   70    69    75    84   3.00000 -1.0 2.0
   75    84    91    92   0.00000  1.0 1.0
   75    84    91    95   0.39000  1.0 1.0
   75    84    91    95  -0.05800 -1.0 2.0
   75    84    91    95  -0.55150  1.0 3.0
   84    53   -62    69   0.09700  1.0 1.0
   84    53   -62    69   0.15600 -1.0 2.0
   84    53   -62    69  -0.50800  1.0 3.0
   84    53    62    71   0.09850  1.0 1.0
   84    53    62    71   0.15250 -1.0 2.0
   84    53    62    71  -0.50650  1.0 3.0
   84    91    95    40   7.00000 -1.0 2.0
   84    91    95   100   7.00000 -1.0 2.0
   85    84    91    92   0.33100  1.0 3.0
   85    84    91    95   0.00000  1.0 1.0
   91    95    40    33   0.09850  1.0 1.0
   91    95    40    33   0.15250 -1.0 2.0
   91    95    40    33  -0.50650  1.0 3.0
   91    95    40    41   0.00000  1.0 1.0
   91    95    40    43   0.67800  1.0 1.0
   91    95    40    43   0.47050 -1.0 2.0
   91    95    40    43  -0.62500  1.0 3.0
   91    95   100   101   0.00000  1.0 1.0
   91    95   100   102   0.00000  1.0 1.0
   91    95   100   103   0.00000  1.0 1.0
   92    91    95    40   7.00000 -1.0 2.0
   92    91    95   100   7.00000 -1.0 2.0
   95    40    43    44  -0.07800  1.0 1.0
   95    40    43    44  -0.21500 -1.0 2.0
   95    40    43    44  -0.03150  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    95   100   101   0.34800  1.0 3.0
   40    95   100   102   0.34800  1.0 3.0
   40    95   100   103   0.34800  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
  100    95    40    33   0.46850  1.0 1.0
  100    95    40    33   0.08550 -1.0 2.0
  100    95    40    33   0.09800  1.0 3.0
  100    95    40    41   0.34800  1.0 3.0
  100    95    40    43   0.18000  1.0 1.0
  100    95    40    43   0.16450 -1.0 2.0
  100    95    40    43   0.04450  1.0 3.0
   71    62    69    70   1.00000 -1.0 2.0
   71    62    69    75  -0.56150  1.0 1.0
   71    62    69    75   2.19150 -1.0 2.0
   55    49    53    54   0.23400  1.0 3.0
   55    49    53    62   0.61850  1.0 1.0
   55    49    53    62  -0.22750 -1.0 2.0
   55    49    53    62   0.15300  1.0 3.0
   55    49    53    84   0.62750  1.0 1.0
   55    49    53    84  -0.30950 -1.0 2.0
   55    49    53    84   0.27300  1.0 3.0
   55    63    74    76   0.36750  1.0 3.0
   55    63    74    80   0.36750  1.0 3.0
   55    63    74    82   0.30750  1.0 1.0
   55    63    74    82   1.13850 -1.0 2.0
   55    63    74    82   0.38850  1.0 3.0
   63    74    76    77  -0.11250  1.0 3.0
   63    74    76    78  -0.11250  1.0 3.0
   63    74    76    79  -0.11250  1.0 3.0
   63    74    80    81  -0.11250  1.0 3.0
   63    74    80    86  -0.95700  1.0 1.0
   63    74    80    86  -0.18200 -1.0 2.0
   63    74    80    86   0.29450  1.0 3.0
   63    74    80    90  -0.09450  1.0 1.0
   63    74    80    90  -1.12950 -1.0 2.0
   63    74    80    90   0.54000  1.0 3.0
   63    74    82    83   0.91850  1.0 1.0
   63    74    82    83   0.57950  1.0 3.0
   64    63    74    76   0.30150 -1.0 2.0
   64    63    74    80   0.30150 -1.0 2.0
   64    63    74    82   0.30150 -1.0 2.0
   74    80    86    87   0.15000  1.0 3.0
   74    80    86    88   0.15000  1.0 3.0
   74    80    86    89   0.15000  1.0 3.0
   74    80    90    93  -0.25900  1.0 1.0
   74    80    90    93  -0.47000 -1.0 2.0
   74    80    90    93   0.11750  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    86   0.56750  1.0 1.0
   76    74    80    86  -0.07550 -1.0 2.0
   76    74    80    86   0.20000  1.0 3.0
   76    74    80    90   0.62750  1.0 1.0
   76    74    80    90  -0.30950 -1.0 2.0
   76    74    80    90   0.27300  1.0 3.0
   76    74    82    83  -0.11600  1.0 1.0
   76    74    82    83  -0.09450 -1.0 2.0
   76    74    82    83   0.21250  1.0 3.0
   80    74    76    77   0.15000  1.0 3.0
   80    74    76    78   0.15000  1.0 3.0
   80    74    76    79   0.15000  1.0 3.0
   80    74    82    83  -0.11600  1.0 1.0
   80    74    82    83  -0.09450 -1.0 2.0
   80    74    82    83   0.21250  1.0 3.0
   80    90    93    94   3.00000 -1.0 2.0
   80    90    93    96   1.63150  1.0 1.0
   80    90    93    96   2.92000 -1.0 2.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    89   0.15000  1.0 3.0
   81    80    90    93   0.08050  1.0 3.0
   86    80    90    93  -0.25900  1.0 1.0
   86    80    90    93  -0.47000 -1.0 2.0
   86    80    90    93   0.11750  1.0 3.0
   90    80    86    87   0.23400  1.0 3.0
   90    80    86    88   0.23400  1.0 3.0
   90    80    86    89   0.23400  1.0 3.0
   90    93    96    97   0.00000  1.0 1.0
   90    93    96    98   0.00000  1.0 1.0
   90    93    96    99   0.00000  1.0 1.0
   94    93    96    97   0.00000  1.0 1.0
   94    93    96    98   0.00000  1.0 1.0
   94    93    96    99   0.00000  1.0 1.0
   82    74    76    77   0.23400  1.0 3.0
   82    74    76    78   0.23400  1.0 3.0
   82    74    76    79   0.23400  1.0 3.0
   82    74    80    81   0.23400  1.0 3.0
   82    74    80    86   0.86500  1.0 1.0
   82    74    80    86  -0.17500 -1.0 2.0
   82    74    80    86   0.20800  1.0 3.0
   82    74    80    90   3.69350  1.0 1.0
   82    74    80    90  -1.82950 -1.0 2.0
   51    45    49    50   0.23400  1.0 3.0
   51    45    49    53   0.62750  1.0 1.0
   51    45    49    53  -0.30950 -1.0 2.0
   51    45    49    53   0.27300  1.0 3.0
   51    45    49    55   1.11900  1.0 1.0
   51    45    49    55  -1.16350 -1.0 2.0
   51    45    49    55  -0.34150  1.0 3.0
   51    56    65    66   0.00000  1.0 1.0
   51    56    65    67   0.00000  1.0 1.0
   51    56    65    68   0.00000  1.0 1.0
   57    56    65    66   0.00000  1.0 1.0
   57    56    65    67   0.00000  1.0 1.0
   57    56    65    68   0.00000  1.0 1.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    49   0.09700  1.0 1.0
   47    42    45    49   0.15600 -1.0 2.0
   47    42    45    49  -0.50800  1.0 3.0
   47    42    45    51   0.09700  1.0 1.0
   47    42    45    51   0.15600 -1.0 2.0
   47    42    45    51  -0.50800  1.0 3.0
   47    52    58    59   0.08050  1.0 3.0
   47    52    58    60   0.08050  1.0 3.0
   47    52    58    61   0.08050  1.0 3.0
   48    47    52    58   3.00000 -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    42   1.10000 -1.0 2.0
   47    45    42    38   1.10000 -1.0 2.0
   53    69    62    71   1.10000 -1.0 2.0
   62    75    69    70  10.50000 -1.0 2.0
   84    92    91    95   1.10000 -1.0 2.0
   40   100    95    91   1.10000 -1.0 2.0
   72    73    71    62   1.10000 -1.0 2.0
   55    74    63    64  10.50000 -1.0 2.0
   90    96    93    94  10.50000 -1.0 2.0
   51    65    56    57  10.50000 -1.0 2.0
   42    52    47    48  10.50000 -1.0 2.0
END
