* LIGAND DATABASE FILE (OPLS2005)
*
001     103   104    185    271     538
    1     0 S   NP   _N1_     1    29.03722    95.15813   -16.53301
    2     1 S   H    _HN1     2     1.02926   104.62135    49.53997
    3     1 S   H    _H1_     3     1.02838    38.14675   148.58454
    4     1 S   H    _H2_     4     1.02781    72.88572   -55.52983
    5     1 S   CT   _CA1     5     1.50176   139.88443  -159.96066
    6     5 S   HC   _HA1     6     1.09586   105.10580    28.07596
    7     5 S   CO3  _C1_     7     1.53722   112.59014   -91.72628
    8     7 S   O2Z  _O11     8     1.26320   114.99404   -38.80123
    9     7 S   O2Z  _O12     9     1.26198   114.95662   140.35720
   10     5 S   CT   _CB1    10     1.53135   107.39504   145.75261
   11    10 S   HC   HB11    11     1.09796   108.94552   -51.64502
   12    10 S   HC   HB12    12     1.09822   110.51879    64.74999
   13    10 S   CT   _CG1    13     1.53035   112.78948  -172.99666
   14    13 S   HC   HG11    14     1.09519   110.14546   -67.49740
   15    13 S   HC   HG12    15     1.09655   110.14669    51.39184
   16    13 S   C    _CD1    16     1.51904   112.50159   171.01819
   17    16 S   O    _OE1    17     1.22734   123.09231   -15.94031
   18    16 S   N    _N2_    18     1.38581   111.81383   165.80160
   19    18 S   H    _HN2    19     1.01611   118.89002    -2.25299
   20    18 S   CT1  _CA2    20     1.46318   123.64496   177.27847
   21    20 S   HC   _HA2    21     1.09747   109.18010   -19.20422
   22    20 S   C    _C2_    22     1.53499   107.87674  -134.49432
   23    22 S   O    _O2_    23     1.23000   122.37997  -145.47170
   24    20 S   CT   _CB2    32     1.53436   111.73941   103.35731
   25    24 S   HC   HB21    33     1.09475   109.81517    51.71256
   26    24 S   HC   HB22    34     1.09506   110.73995   169.91482
   27    22 S   N    _N3_    24     1.38556   113.26295    41.90783
   28    27 S   H    _HN3    25     1.01535   118.90683    -0.57641
   29    24 S   S    _SG2    35     1.82861   111.72534   -71.64710
   30    27 S   CT   _CA3    26     1.45444   123.45154   175.12018
   31    30 S   HC   HA31    27     1.09523   109.22232    24.53578
   32    30 S   HC   HA32    28     1.09495   107.12074   141.54475
   33    29 S   CT   _C14    36     1.83872   100.30347   140.39523
   34    33 S   HC   _H8_    37     1.09760   105.31783    49.91660
   35    30 S   CO3  _C3_    29     1.52927   113.14601   -98.92913
   36    35 S   O2Z  _O31    30     1.26401   115.43789   -43.65305
   37    35 S   O2Z  _O32    31     1.26359   114.96206   137.28884
   38    33 S   CM   _C5_    38     1.52683   112.62894   -68.36275
   39    33 S   CT   _C13    59     1.56151   111.18265   165.66732
   40    39 S   HC   _H7_    60     1.09887   108.00713   -49.28346
   41    38 S   CM   _C6_    39     1.34949   121.08966   -52.56164
   42    41 S   HC   _H13    40     1.08940   118.29033     7.90420
   43    39 S   OH   _O33    61     1.42269   110.42324  -162.36768
   44    43 S   HO   _H15    62     0.97212   107.85684    57.34081
   45    38 S   CT   _C4_   100     1.50571   114.14297   132.98781
   46    45 S   HC   _H10   101     1.09538   109.95955   -56.25600
   47    45 S   HC   _H11   102     1.09178   113.35426  -175.22000
   48    45 S   HC   _H12   103     1.09407   110.52316    63.22265
   49    41 S   CT   _C7_    41     1.49381   129.01768  -160.30003
   50    49 S   HC   _H3_    42     1.09814   107.13232   177.92925
   51    49 S   CT   _C8_    43     1.52868   114.26886    54.43889
   52    51 S   HC   _H4_    44     1.09572   111.31629   -49.54346
   53    51 S   CM   _C26    45     1.50097    97.27068  -158.31889
   54    51 S   CT   _C9_    52     1.55159   116.84884    75.68216
   55    54 S   HC   _H5_    53     1.09845   105.05511   161.58240
   56    53 S   CO4  _C28    46     1.48412   108.13451    28.03435
   57    56 S   O    _O43    47     1.21736   127.06254   165.64345
   58    53 S   CM   _C27    49     1.33546   130.88922  -151.54906
   59    58 S   HC   _H32    50     1.08374   121.71245    -0.58851
   60    58 S   HC   _H33    51     1.08571   121.45974   179.43559
   61    54 S   CT   _C10    54     1.57220   116.42789   -82.94824
   62    61 S   HC   _H6_    55     1.09820   106.41161  -160.44689
   63    54 S   OS   _O38    77     1.44443   108.94420    46.72735
   64    49 S   OS   _O44    48     1.43167   111.43706   -66.09628
   65    61 S   CM   _C11    56     1.52367   118.81900    81.81320
   66    61 S   OS   _O36    70     1.44350   108.48325   -45.99142
   67    63 S   CO4  _C19    78     1.36427   118.13019   148.02876
   68    67 S   O    _O39    79     1.22526   125.20645    10.24811
   69    65 S   CM   _C12    57     1.35326   134.80704  -113.21538
   70    69 S   HC   _H14    58     1.09464   116.29271  -179.00633
   71    65 S   CO4  _C15    63     1.49322   115.10299    70.29002
   72    71 S   O    _O34    64     1.22194   123.91973  -123.14385
   73    66 S   CO4  _C17    71     1.36260   118.26362   -80.60515
   74    73 S   O    _O37    72     1.22304   126.47841    -0.05595
   75    67 S   CT   _C20    80     1.53358   110.87382  -166.37805
   76    71 S   OS   _O35    65     1.35835   108.86250    58.66785
   77    73 S   CT   _C18    73     1.49830   109.56796   179.89532
   78    77 S   HC   _H19    74     1.09296   109.87686   -56.75745
   79    77 S   HC   _H20    75     1.09379   109.33432  -175.51992
   80    77 S   HC   _H21    76     1.09255   109.85972    65.25113
   81    75 S   CT   _C21    81     1.52744   111.28008   -48.46162
   82    81 S   HC   _H22    82     1.09508   111.58658  -172.43312
   83    81 S   HC   _H23    83     1.09382   112.28547    65.30811
   84    81 S   HC   _H24    84     1.09387   110.54068   -55.49058
   85    75 S   CT   _C22    85     1.54924   109.12947    77.22192
   86    85 S   HC   _H9_    86     1.09647   109.47432   -57.56817
   87    75 S   OH   _O42    98     1.43010   107.09526  -164.55120
   88    87 S   HO   _H31    99     0.97384   107.32466   -64.20465
   89    76 S   CT   _C16    66     1.43062   115.80849   177.36730
   90    89 S   HC   _H16    67     1.09332   108.01471  -166.10914
   91    89 S   HC   _H17    68     1.09296   109.77566    75.57935
   92    89 S   HC   _H18    69     1.09441   111.13625   -47.23740
   93    85 S   CT   _C23    87     1.52971   113.42782   179.46113
   94    93 S   HC   _H25    88     1.09518   111.18813   -57.07958
   95    93 S   HC   _H26    89     1.09347   111.70009    64.80861
   96    93 S   HC   _H27    90     1.09495   110.94204  -175.19242
   97    85 S   OS   _O40    91     1.45274   107.15810    60.45065
   98    97 S   CO4  _C24    92     1.36231   117.82765  -156.39272
   99    98 S   O    _O41    93     1.22279   126.47666    -1.19485
  100    98 S   CT   _C25    94     1.49813   109.45356   178.61591
  101   100 S   HC   _H28    95     1.09296   109.78294   -61.28783
  102   100 S   HC   _H29    96     1.09377   109.36108   179.68102
  103   100 S   HC   _H30    97     1.09287   109.84835    60.62525
  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
  16   7   2   1   1  14  10   5  13   5   4   1   4   2   1   1
  12   6  16   8  10  15   6   5   2   3   1   1  13   6   8   1
   8   8  12   4   4   1   6   2   5   4  14   4   3   2   1   1
   9   4   3   2  11   7   3   1   3   2   1   1   5   3   2   1
   6   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    69    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    49    65    69    70    39    40    43    44    45    46    47    48  
   38    41    69    39    40    43    45  
   36    37  
   37  
    0  
   41    42    49    50    51    64    69    39    40    43    45    46    47    48  
   40    43    44    71    45    41    61    65    69    70  
   43    44    65    69    70  
   42    49    50    51    52    53    56    64    54    45    46    47    48  
   49    50    51    64    45  
   44    65    69    70  
   69  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    56    57    64    58    54    55    61    63  
   51    52    53    56    64    54  
   52    53    56    57    64    58    59    60    54    55    61    62    65    66    63    67  
   53    56    64    58    54    55    61    63  
   56    57    64    58    59    60    54    55    61    63  
   55    61    62    65    69    71    66    73    63    67    68    75    56    58    64  
   61    62    65    66    63    67  
   57    64    58    59    60  
   64    58  
   59    60    64  
   60  
    0  
   62    65    69    70    71    72    76    66    73    74    77    63    67  
   65    69    71    66    73    63  
   67    68    75    81    85    87    65    66  
    0  
   69    70    71    72    76    89    66    73  
   73    74    77    78    79    80    69    71  
   68    75    81    82    83    84    85    86    93    97    87    88  
   75    81    85    87  
   70    71    72    76  
   71  
   72    76    89    90    91    92  
   76    89  
   74    77    78    79    80  
   77    78    79    80  
   81    82    83    84    85    86    93    94    95    96    97    98    87    88  
   89    90    91    92  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    93    97    87    88  
   83    84    85    87  
   84    85    87  
   85    87  
   86    93    94    95    96    97    98    99   100    87    88  
   93    94    95    96    97    98    87  
   88    93    97  
    0  
   90    91    92  
   91    92  
   92  
    0  
   94    95    96    97    98  
   95    96    97  
   96    97  
   97  
   98    99   100   101   102   103  
   99   100   101   102   103  
  100   101   102   103  
  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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.060000   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    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    39   268.000  1.529
   38    41   549.000  1.340
   38    45   317.000  1.510
   41    42   340.000  1.080
   41    49   317.000  1.510
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    64   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    54   268.000  1.529
   53    56   320.000  1.462
   53    58   549.000  1.340
   56    57   570.000  1.229
   56    64   214.000  1.327
   58    59   340.000  1.080
   58    60   340.000  1.080
   54    55   340.000  1.090
   54    61   268.000  1.529
   54    63   320.000  1.410
   61    62   340.000  1.090
   61    65   317.000  1.510
   61    66   320.000  1.410
   65    69   549.000  1.340
   65    71   320.000  1.462
   69    70   340.000  1.080
   69    39   317.000  1.510
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   71    72   570.000  1.229
   71    76   214.000  1.327
   76    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   66    73   214.000  1.327
   73    74   570.000  1.229
   73    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   63    67   214.000  1.327
   67    68   570.000  1.229
   67    75   317.000  1.522
   75    81   268.000  1.529
   75    85   268.000  1.529
   75    87   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    93   268.000  1.529
   85    97   320.000  1.410
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   214.000  1.327
   98    99   570.000  1.229
   98   100   317.000  1.522
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   87    88   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    69    70.00000  112.02700
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    49    70.00000  124.00000
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   41    49    50    35.00000  109.50000
   41    49    51    70.00000  112.02700
   41    49    64    85.00000  110.90400
   49    41    42    35.00000  117.00000
   49    51    52    37.50000  110.70000
   49    51    53    70.00000  112.02700
   49    51    54    58.35000  112.70000
   49    64    56    83.00000  116.90000
   51    49    50    37.50000  110.70000
   51    53    56    65.00000  116.34900
   51    53    58    70.00000  124.00000
   51    54    55    37.50000  110.70000
   51    54    61    58.35000  112.70000
   51    54    63    50.00000  109.50000
   53    51    52    35.00000  109.50000
   53    56    57    80.00000  123.72100
   53    56    64    90.00000  111.29400
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   64    49    50    35.00000  109.50000
   64    49    51    50.00000  109.50000
   64    56    57    83.00000  123.40000
   58    53    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.02700
   54    61    62    37.50000  110.70000
   54    61    65    70.00000  112.02700
   54    61    66    50.00000  109.50000
   54    63    67    83.00000  116.90000
   61    54    55    37.50000  110.70000
   61    65    69    70.00000  124.00000
   61    65    71    65.00000  116.34900
   61    66    73    83.00000  116.90000
   65    61    62    35.00000  109.50000
   65    69    70    35.00000  120.00000
   65    69    39    70.00000  124.00000
   65    71    72    80.00000  123.72100
   65    71    76    90.00000  111.29400
   69    39    40    35.00000  109.50000
   69    39    43    90.00000  110.39200
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    69    70    35.00000  117.00000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   71    65    69    65.00000  118.96000
   71    76    89    83.00000  116.90000
   76    71    72    83.00000  123.40000
   76    89    90    35.00000  109.50000
   76    89    91    35.00000  109.50000
   76    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    65    85.00000  110.90400
   66    73    74    83.00000  123.40000
   66    73    77    81.00000  111.40000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   77    73    74    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   63    54    55    35.00000  109.50000
   63    54    61    50.00000  109.50000
   63    67    68    83.00000  123.40000
   63    67    75    81.00000  111.40000
   67    75    81    63.00000  111.10000
   67    75    85    63.00000  111.10000
   67    75    87    90.00000  109.61100
   75    67    68    80.00000  120.40000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    84    37.50000  110.70000
   75    85    86    37.50000  110.70000
   75    85    93    58.35000  112.70000
   75    85    97    50.00000  109.50000
   75    87    88    55.00000  108.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    75    81    58.35000  112.70000
   85    93    94    37.50000  110.70000
   85    93    95    37.50000  110.70000
   85    93    96    37.50000  110.70000
   85    97    98    83.00000  116.90000
   93    85    86    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    85    86    35.00000  109.50000
   97    85    93    50.00000  109.50000
   97    98    99    83.00000  123.40000
   97    98   100    81.00000  111.40000
   98   100   101    35.00000  109.50000
   98   100   102    35.00000  109.50000
   98   100   103    35.00000  109.50000
  100    98    99    80.00000  120.40000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   87    75    81    50.00000  109.50000
   87    75    85    50.00000  109.50000
   45    38    41    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    69   0.56750  1.0 1.0
   29    33    39    69  -0.07550 -1.0 2.0
   29    33    39    69   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    69   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    69   0.31000  1.0 1.0
   38    33    39    69   0.14700 -1.0 2.0
   38    33    39    69   0.07550  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    49    50   0.00000  1.0 1.0
   38    41    49    51   0.09850  1.0 1.0
   38    41    49    51   0.15250 -1.0 2.0
   38    41    49    51  -0.50650  1.0 3.0
   38    41    49    64   0.39000  1.0 1.0
   38    41    49    64  -0.05800 -1.0 2.0
   38    41    49    64  -0.55150  1.0 3.0
   41    38    45    46   0.00000  1.0 1.0
   41    38    45    47   0.00000  1.0 1.0
   41    38    45    48   0.00000  1.0 1.0
   41    49    51    52   0.15000  1.0 3.0
   41    49    51    53   0.31000  1.0 1.0
   41    49    51    53   0.14700 -1.0 2.0
   41    49    51    53   0.07550  1.0 3.0
   41    49    51    54   0.34400  1.0 1.0
   41    49    51    54   0.09450 -1.0 2.0
   41    49    51    54   0.11100  1.0 3.0
   41    49    64    56  -0.82050  1.0 1.0
   41    49    64    56   0.00600 -1.0 2.0
   41    49    64    56   0.04400  1.0 3.0
   42    41    49    50   0.33100  1.0 3.0
   42    41    49    51   0.00000  1.0 1.0
   42    41    49    64   0.00000  1.0 1.0
   49    51   -53    56   0.09700  1.0 1.0
   49    51   -53    56   0.15600 -1.0 2.0
   49    51   -53    56  -0.50800  1.0 3.0
   49    51    53    58   0.09850  1.0 1.0
   49    51    53    58   0.15250 -1.0 2.0
   49    51    53    58  -0.50650  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    61   0.56750  1.0 1.0
   49    51    54    61  -0.07550 -1.0 2.0
   49    51    54    61   0.20000  1.0 3.0
   49    51    54    63   0.62750  1.0 1.0
   49    51    54    63  -0.30950 -1.0 2.0
   49    51    54    63   0.27300  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    64    56   0.08050  1.0 3.0
   51    49   -64    56  -0.25900  1.0 1.0
   51    49   -64    56  -0.47000 -1.0 2.0
   51    49   -64    56   0.11750  1.0 3.0
   51    53    56    57  -0.64400  1.0 1.0
   51    53    56    57   0.26850 -1.0 2.0
   51    53   -56    64  -0.15000  1.0 1.0
   51    53   -56    64   0.89550 -1.0 2.0
   51    53   -56    64  -0.06900  1.0 3.0
   51    53    58    59   7.00000 -1.0 2.0
   51    53    58    60   7.00000 -1.0 2.0
   51    54    61    62   0.15000  1.0 3.0
   51    54    61    65   0.34400  1.0 1.0
   51    54    61    65   0.09450 -1.0 2.0
   51    54    61    65   0.11100  1.0 3.0
   51    54    61    66   0.62750  1.0 1.0
   51    54    61    66  -0.30950 -1.0 2.0
   51    54    61    66   0.27300  1.0 3.0
   51    54    63    67  -0.25900  1.0 1.0
   51    54    63    67  -0.47000 -1.0 2.0
   51    54    63    67   0.11750  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    53    58   0.00000  1.0 1.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    61   0.15000  1.0 3.0
   52    51    54    63   0.23400  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    61   0.34400  1.0 1.0
   53    51    54    61   0.09450 -1.0 2.0
   53    51    54    61   0.11100  1.0 3.0
   53    51    54    63   0.61850  1.0 1.0
   53    51    54    63  -0.22750 -1.0 2.0
   53    51    54    63   0.15300  1.0 3.0
   53    56   -64    49   2.00000 -1.0 2.0
   56    53    58    59   7.00000 -1.0 2.0
   56    53    58    60   7.00000 -1.0 2.0
   57    56    64    49   3.00000 -1.0 2.0
   64    49    51    52   0.23400  1.0 3.0
   64    49   -51    53   0.61850  1.0 1.0
   64    49   -51    53  -0.22750 -1.0 2.0
   64    49   -51    53   0.15300  1.0 3.0
   64    49    51    54   0.62750  1.0 1.0
   64    49    51    54  -0.30950 -1.0 2.0
   64    49    51    54   0.27300  1.0 3.0
   58    53    56    57   1.00000 -1.0 2.0
   58    53    56    64  -0.56150  1.0 1.0
   58    53    56    64   2.19150 -1.0 2.0
   54    51    53    56   0.09700  1.0 1.0
   54    51    53    56   0.15600 -1.0 2.0
   54    51    53    56  -0.50800  1.0 3.0
   54    51    53    58   0.09850  1.0 1.0
   54    51    53    58   0.15250 -1.0 2.0
   54    51    53    58  -0.50650  1.0 3.0
   54    61    65    69   0.09850  1.0 1.0
   54    61    65    69   0.15250 -1.0 2.0
   54    61    65    69  -0.50650  1.0 3.0
   54    61    65    71   0.09700  1.0 1.0
   54    61    65    71   0.15600 -1.0 2.0
   54    61    65    71  -0.50800  1.0 3.0
   54    61    66    73  -0.25900  1.0 1.0
   54    61    66    73  -0.47000 -1.0 2.0
   54    61    66    73   0.11750  1.0 3.0
   54    63    67    68   3.00000 -1.0 2.0
   54    63    67    75   1.63150  1.0 1.0
   54    63    67    75   2.92000 -1.0 2.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    65   0.15000  1.0 3.0
   55    54    61    66   0.23400  1.0 3.0
   55    54    63    67   0.08050  1.0 3.0
   61    54    63    67  -0.25900  1.0 1.0
   61    54    63    67  -0.47000 -1.0 2.0
   61    54    63    67   0.11750  1.0 3.0
   61    65    69    70   7.00000 -1.0 2.0
   61    65    69    39   7.00000 -1.0 2.0
   61    65    71    72  -0.64400  1.0 1.0
   61    65    71    72   0.26850 -1.0 2.0
   61    65    71    76  -0.15000  1.0 1.0
   61    65    71    76   0.89550 -1.0 2.0
   61    65    71    76  -0.06900  1.0 3.0
   61    66    73    74   3.00000 -1.0 2.0
   61    66    73    77   1.63150  1.0 1.0
   61    66    73    77   2.92000 -1.0 2.0
   62    61    65    69   0.00000  1.0 1.0
   62    61    65    71   0.15000  1.0 3.0
   62    61    66    73   0.08050  1.0 3.0
   65    61    66    73  -0.82050  1.0 1.0
   65    61    66    73   0.00600 -1.0 2.0
   65    61    66    73   0.04400  1.0 3.0
   65    69    39    33   0.09850  1.0 1.0
   65    69    39    33   0.15250 -1.0 2.0
   65    69    39    33  -0.50650  1.0 3.0
   65    69    39    40   0.00000  1.0 1.0
   65    69    39    43   0.67800  1.0 1.0
   65    69    39    43   0.47050 -1.0 2.0
   65    69    39    43  -0.62500  1.0 3.0
   65    71    76    89   2.00000 -1.0 2.0
   69    65    71    72   1.00000 -1.0 2.0
   69    65    71    76  -0.56150  1.0 1.0
   69    65    71    76   2.19150 -1.0 2.0
   69    39    43    44  -0.07800  1.0 1.0
   69    39    43    44  -0.21500 -1.0 2.0
   69    39    43    44  -0.03150  1.0 3.0
   70    69    39    33   0.00000  1.0 1.0
   70    69    39    40   0.33100  1.0 3.0
   70    69    39    43   0.00000  1.0 1.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   71    65    69    70   7.00000 -1.0 2.0
   71    65    69    39   7.00000 -1.0 2.0
   71    76    89    90   0.08050  1.0 3.0
   71    76    89    91   0.08050  1.0 3.0
   71    76    89    92   0.08050  1.0 3.0
   72    71    76    89   3.00000 -1.0 2.0
   66    61    65    69   0.39000  1.0 1.0
   66    61    65    69  -0.05800 -1.0 2.0
   66    61    65    69  -0.55150  1.0 3.0
   66    61    65    71   0.09700  1.0 1.0
   66    61    65    71   0.15600 -1.0 2.0
   66    61    65    71  -0.50800  1.0 3.0
   66    73    77    78   0.00000  1.0 1.0
   66    73    77    79   0.00000  1.0 1.0
   66    73    77    80   0.00000  1.0 1.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    80   0.00000  1.0 1.0
   63    54    61    62   0.23400  1.0 3.0
   63    54    61    65   0.61850  1.0 1.0
   63    54    61    65  -0.22750 -1.0 2.0
   63    54    61    65   0.15300  1.0 3.0
   63    54    61    66   1.11900  1.0 1.0
   63    54    61    66  -1.16350 -1.0 2.0
   63    54    61    66  -0.34150  1.0 3.0
   63    67    75    81   0.36750  1.0 3.0
   63    67    75    85   0.36750  1.0 3.0
   63    67    75    87   0.30750  1.0 1.0
   63    67    75    87   1.13850 -1.0 2.0
   63    67    75    87   0.38850  1.0 3.0
   67    75    81    82  -0.11250  1.0 3.0
   67    75    81    83  -0.11250  1.0 3.0
   67    75    81    84  -0.11250  1.0 3.0
   67    75    85    86  -0.11250  1.0 3.0
   67    75    85    93  -0.95700  1.0 1.0
   67    75    85    93  -0.18200 -1.0 2.0
   67    75    85    93   0.29450  1.0 3.0
   67    75    85    97  -0.09450  1.0 1.0
   67    75    85    97  -1.12950 -1.0 2.0
   67    75    85    97   0.54000  1.0 3.0
   67    75    87    88   0.91850  1.0 1.0
   67    75    87    88   0.57950  1.0 3.0
   68    67    75    81   0.30150 -1.0 2.0
   68    67    75    85   0.30150 -1.0 2.0
   68    67    75    87   0.30150 -1.0 2.0
   75    85    93    94   0.15000  1.0 3.0
   75    85    93    95   0.15000  1.0 3.0
   75    85    93    96   0.15000  1.0 3.0
   75    85    97    98  -0.25900  1.0 1.0
   75    85    97    98  -0.47000 -1.0 2.0
   75    85    97    98   0.11750  1.0 3.0
   81    75    85    86   0.15000  1.0 3.0
   81    75    85    93   0.56750  1.0 1.0
   81    75    85    93  -0.07550 -1.0 2.0
   81    75    85    93   0.20000  1.0 3.0
   81    75    85    97   0.62750  1.0 1.0
   81    75    85    97  -0.30950 -1.0 2.0
   81    75    85    97   0.27300  1.0 3.0
   81    75    87    88  -0.11600  1.0 1.0
   81    75    87    88  -0.09450 -1.0 2.0
   81    75    87    88   0.21250  1.0 3.0
   85    75    81    82   0.15000  1.0 3.0
   85    75    81    83   0.15000  1.0 3.0
   85    75    81    84   0.15000  1.0 3.0
   85    75    87    88  -0.11600  1.0 1.0
   85    75    87    88  -0.09450 -1.0 2.0
   85    75    87    88   0.21250  1.0 3.0
   85    97    98    99   3.00000 -1.0 2.0
   85    97    98   100   1.63150  1.0 1.0
   85    97    98   100   2.92000 -1.0 2.0
   86    85    93    94   0.15000  1.0 3.0
   86    85    93    95   0.15000  1.0 3.0
   86    85    93    96   0.15000  1.0 3.0
   86    85    97    98   0.08050  1.0 3.0
   93    85    97    98  -0.25900  1.0 1.0
   93    85    97    98  -0.47000 -1.0 2.0
   93    85    97    98   0.11750  1.0 3.0
   97    85    93    94   0.23400  1.0 3.0
   97    85    93    95   0.23400  1.0 3.0
   97    85    93    96   0.23400  1.0 3.0
   97    98   100   101   0.00000  1.0 1.0
   97    98   100   102   0.00000  1.0 1.0
   97    98   100   103   0.00000  1.0 1.0
   99    98   100   101   0.00000  1.0 1.0
   99    98   100   102   0.00000  1.0 1.0
   99    98   100   103   0.00000  1.0 1.0
   87    75    81    82   0.23400  1.0 3.0
   87    75    81    83   0.23400  1.0 3.0
   87    75    81    84   0.23400  1.0 3.0
   87    75    85    86   0.23400  1.0 3.0
   87    75    85    93   0.86500  1.0 1.0
   87    75    85    93  -0.17500 -1.0 2.0
   87    75    85    93   0.20800  1.0 3.0
   87    75    85    97   3.69350  1.0 1.0
   87    75    85    97  -1.82950 -1.0 2.0
   45    38    41    42   7.00000 -1.0 2.0
   45    38    41    49   7.00000 -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    45    38    41   1.10000 -1.0 2.0
   49    42    41    38   1.10000 -1.0 2.0
   51    56    53    58   1.10000 -1.0 2.0
   53    64    56    57  10.50000 -1.0 2.0
   59    60    58    53   1.10000 -1.0 2.0
   61    71    65    69   1.10000 -1.0 2.0
   39    70    69    65   1.10000 -1.0 2.0
   65    76    71    72  10.50000 -1.0 2.0
   66    77    73    74  10.50000 -1.0 2.0
   63    75    67    68  10.50000 -1.0 2.0
   97   100    98    99  10.50000 -1.0 2.0
END
