* LIGAND DATABASE FILE (OPLS2005)
*
001     102   104    196    278     557
    1     0 S   NP   _N1_     1    30.01539    94.12013   -21.88096
    2     1 S   H    _HN1     2     1.02834   103.73910    61.57014
    3     1 S   H    _H1_     3     1.02740    17.56262   166.49362
    4     1 S   H    _H2_     4     1.03484    92.96730   -47.84421
    5     1 S   CT   _CA1     5     1.49995   127.17983  -168.10783
    6     5 S   HC   _HA1     6     1.09375   105.19269    50.01168
    7     5 S   CO3  _C1_     7     1.53774   112.70678   -70.24996
    8     7 S   O2Z  _O11     8     1.26423   115.05871   -41.16346
    9     7 S   O2Z  _O12     9     1.26244   115.12376   138.10195
   10     5 S   CT   _CB1    10     1.53004   107.40953   168.68447
   11    10 S   HC   HB11    11     1.09733   110.14865   -41.87152
   12    10 S   HC   HB12    12     1.09811   110.34933    74.52057
   13    10 S   CT   _CG1    13     1.52909   112.54540  -162.70509
   14    13 S   HC   HG11    14     1.09529   111.34900   -60.01567
   15    13 S   HC   HG12    15     1.09549   110.76291    59.34610
   16    13 S   C    _CD1    16     1.51361   109.69372   178.69374
   17    16 S   O    _OE1    17     1.22830   121.85170   -92.88163
   18    16 S   N    _N2_    18     1.38350   112.73822    84.88869
   19    18 S   H    _HN2    19     1.01561   119.17098     7.00793
   20    18 S   CT1  _CA2    20     1.45689   122.93603  -177.97368
   21    20 S   HC   _HA2    21     1.09562   108.73619    22.61989
   22    20 S   C    _C2_    22     1.52858   107.44220   -94.24965
   23    22 S   O    _O2_    23     1.22944   122.92488   -27.81381
   24    20 S   CT   _CB2    32     1.53286   112.12530   145.89360
   25    24 S   HC   HB21    33     1.09661   109.79880    61.75682
   26    24 S   HC   HB22    34     1.09567   111.06853   179.20230
   27    22 S   N    _N3_    24     1.38639   112.37473   155.19330
   28    27 S   H    _HN3    25     1.01515   119.74045     0.44013
   29    24 S   S    _SG2    35     1.82794   113.85574   -57.70374
   30    27 S   CT   _CA3    26     1.45435   122.74763   175.48911
   31    30 S   HC   HA31    27     1.09547   108.82269    32.34327
   32    30 S   HC   HA32    28     1.09478   107.19366   149.42640
   33    29 S   CT   _C19    36     1.82484    99.65183   -69.70005
   34    33 S   HC   _H25    37     1.09476   107.99223   -60.04221
   35    33 S   HC   _H26    38     1.09278   108.79658    58.63904
   36    30 S   CO3  _C3_    29     1.53059   113.72327   -90.59235
   37    36 S   O2Z  _O31    30     1.26363   115.87524   -30.53610
   38    36 S   O2Z  _O32    31     1.26427   114.65362   150.33562
   39    33 S   CT   _C18    39     1.52681   110.61818   178.98992
   40    39 S   HC   _H11    40     1.09885   110.10460   -51.12183
   41    39 S   CT   _C15    41     1.52132   112.00230  -173.84464
   42    41 S   HC   _H9_    42     1.09735   111.14483   -42.80019
   43    41 S   CT   _C16    43     1.51006   101.15129  -159.36192
   44    43 S   HC   _H23    44     1.09433   113.22379   160.91512
   45    43 S   HC   _H24    45     1.09756   110.06905   -79.67593
   46    41 S   OS   _O42    53     1.41238   111.01935    81.75116
   47    43 S   CT   _C17    46     1.52209   102.37381    37.60826
   48    47 S   HC   _H10    47     1.09518   110.84729  -142.79340
   49    46 S   P2   _P2_    54     1.63338   118.13094  -131.21590
   50    49 S   O2Z  _O41    55     1.51254   108.24719   -71.97242
   51    49 S   O2Z  _O40    56     1.51334   108.85681    61.16857
   52    39 S   OS   _O43    48     1.43797   111.34488    69.02949
   53    47 S   CT   _C20    49     1.52177   112.95495    94.07443
   54    53 S   HC   _H27    50     1.09537   111.35515   -59.63021
   55    53 S   HC   _H28    51     1.09536   110.24023  -177.65715
   56    53 S   HC   _H29    52     1.09408   111.21546    61.82989
   57    49 S   OS   _O39    57     1.63329    98.93418   175.23022
   58    57 S   CT   _C14    58     1.42611   118.71722   -70.09615
   59    58 S   HC   _H21    59     1.09474   108.12930   -64.29008
   60    58 S   HC   _H22    60     1.09463   108.88401    54.47178
   61    58 S   CT   _C13    61     1.52733   108.65833   174.97130
   62    61 S   HC   _H8_    62     1.09573   110.36211   -47.88133
   63    61 S   CT   _C10    63     1.52404   112.48292  -174.21358
   64    63 S   HC   _H6_    64     1.09309   113.58725    31.32443
   65    63 S   CT   _C11    65     1.51043   102.83281   -90.70498
   66    65 S   HC   _H19    66     1.09609   109.92552    81.68823
   67    65 S   HC   _H20    67     1.09267   113.79140  -156.05617
   68    63 S   OS   _O37    75     1.42808   108.82992   154.50346
   69    65 S   CT   _C12    68     1.51901   101.85959   -35.90072
   70    69 S   HC   _H7_    69     1.09662   110.37998   -82.89258
   71    68 S   P2   _P1_    76     1.63273   119.33095  -120.24622
   72    71 S   O2Z  _O36    77     1.51227   108.63991  -177.92152
   73    71 S   O2Z  _O35    78     1.51429   109.14362    49.06001
   74    61 S   OS   _O38    70     1.44706   107.82058    68.81971
   75    69 S   CT   _C21    71     1.51654   113.35589   153.78880
   76    75 S   HC   _H30    72     1.09554   111.02859   -60.81480
   77    75 S   HC   _H31    73     1.09518   110.33486  -178.71808
   78    75 S   HC   _H32    74     1.09402   111.24501    60.52371
   79    71 S   OS   _O34    79     1.63243    99.48213   -63.85319
   80    79 S   CT   _C9_    80     1.42438   119.20625   -74.37442
   81    80 S   HC   _H17    81     1.09466   107.41711   -82.19405
   82    80 S   HC   _H18    82     1.09477   109.67013    36.35088
   83    80 S   CT   _C8_    83     1.52680   108.76399   157.15192
   84    83 S   HC   _H5_    84     1.09551   110.25399   -52.13360
   85    83 S   CT   _C7_    85     1.52561   112.39915  -178.52488
   86    85 S   HC   _H4_    86     1.09422   113.89198    29.60435
   87    85 S   CT   _C6_    87     1.51215   102.83669   -92.47107
   88    87 S   HC   _H15    88     1.09630   109.78665    81.84336
   89    87 S   HC   _H16    89     1.09415   113.86324  -155.90552
   90    85 S   OS   _O44    97     1.42697   109.17270   152.83081
   91    87 S   CT   _C5_    90     1.51935   101.83879   -35.52719
   92    91 S   HC   _H3_    91     1.09663   110.45537   -81.85713
   93    90 S   P2   _P3_    98     1.63134   119.15867  -103.75169
   94    93 S   O2Z  _O47    99     1.51124   108.50513   177.39098
   95    93 S   O2Z  _O45   100     1.51100   110.01831    42.99048
   96    83 S   OS   _O33    92     1.44609   107.86684    64.31093
   97    91 S   CT   _C4_    93     1.51642   113.50925   154.60587
   98    97 S   HC   _H12    94     1.09554   111.03513   -60.66524
   99    97 S   HC   _H13    95     1.09523   110.31918  -178.52647
  100    97 S   HC   _H14    96     1.09393   111.26585    60.71458
  101    93 S   OS   _O46   101     1.63103    99.03460   -70.70630
  102   101 S   HO   _H33   102     0.97884   115.98052   -82.41532
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  12   6  13   7  11   6   5   7   6   5
   7   3   2   4   3   2   1   1   7  10   5   4  12   6  13   7
  11   6   5   7   6   5   7   3   2   4   3   2   1   1   7  10
   5   4  12   6  13   7  11   6   5   7   6   5   4   3   2   4
   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    46  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    52    53    46    49  
   41    42    43    47    52    46  
   42    43    44    45    47    48    52    53    46    49    50    51    57  
   43    44    45    47    52    46    49  
   44    45    47    48    52    53    54    55    56    46    49  
   45    47    48    52    53    46  
   47    48    52    53    46  
   49    50    51    57    58    47    52  
   48    52    53    54    55    56  
   52    53    54    55    56  
   50    51    57    58    59    60    61  
   51    57    58  
   57    58  
   53    54    55    56  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62    63    74  
   59    60    61    62    63    64    65    69    74    68  
   60    61    62    63    74  
   61    62    63    74  
   62    63    64    65    66    67    69    70    74    75    68    71  
   63    64    65    69    74    68  
   64    65    66    67    69    70    74    75    68    71    72    73    79  
   65    66    67    69    74    68    71  
   66    67    69    70    74    75    76    77    78    68    71  
   67    69    70    74    75    68  
   69    70    74    75    68  
   71    72    73    79    80    69    74  
   70    74    75    76    77    78  
   74    75    76    77    78  
   72    73    79    80    81    82    83  
   73    79    80  
   79    80  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85    96  
   81    82    83    84    85    86    87    91    96    90  
   82    83    84    85    96  
   83    84    85    96  
   84    85    86    87    88    89    91    92    96    97    90    93  
   85    86    87    91    96    90  
   86    87    88    89    91    92    96    97    90    93    94    95   101  
   87    88    89    91    96    90    93  
   88    89    91    92    96    97    98    99   100    90    93  
   89    91    92    96    97    90  
   91    92    96    97    90  
   93    94    95   101   102    91    96  
   92    96    97    98    99   100  
   96    97    98    99   100  
   94    95   101   102  
   95   101   102  
  101   102  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    0  
  102  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   50   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   94   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   95   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   96   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    52   320.000  1.410
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   46    49   230.000  1.697
   49    50   525.000  1.480
   49    51   525.000  1.480
   49    57   230.000  1.697
   57    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    74   320.000  1.410
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    68   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    74   320.000  1.410
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   68    71   230.000  1.697
   71    72   525.000  1.480
   71    73   525.000  1.480
   71    79   230.000  1.697
   79    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    96   320.000  1.410
   85    86   340.000  1.090
   85    87   268.000  1.529
   85    90   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    91   268.000  1.529
   91    92   340.000  1.090
   91    96   320.000  1.410
   91    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   90    93   230.000  1.697
   93    94   525.000  1.480
   93    95   525.000  1.480
   93   101   230.000  1.697
  101   102   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    52    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    52    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    49   100.00000  120.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    52    50.00000  109.50000
   43    47    53    58.35000  112.70000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    56    37.50000  110.70000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   53    47    48    37.50000  110.70000
   53    47    52    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
   46    49    50   100.00000  108.23000
   46    49    51   100.00000  108.23000
   46    49    57    45.00000  102.60000
   49    57    58   100.00000  120.50000
   51    49    50   140.00000  119.90000
   57    49    50   100.00000  108.23000
   57    49    51   100.00000  108.23000
   57    58    59    35.00000  109.50000
   57    58    60    35.00000  109.50000
   57    58    61    50.00000  109.50000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    74    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    58.35000  112.70000
   61    63    68    50.00000  109.50000
   61    74    69    60.00000  109.50000
   63    61    62    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    68    71   100.00000  120.50000
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    74    50.00000  109.50000
   65    69    75    58.35000  112.70000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   74    61    62    35.00000  109.50000
   74    61    63    50.00000  109.50000
   74    69    70    35.00000  109.50000
   75    69    70    37.50000  110.70000
   75    69    74    50.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    50.00000  109.50000
   68    71    72   100.00000  108.23000
   68    71    73   100.00000  108.23000
   68    71    79    45.00000  102.60000
   71    79    80   100.00000  120.50000
   73    71    72   140.00000  119.90000
   79    71    72   100.00000  108.23000
   79    71    73   100.00000  108.23000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    50.00000  109.50000
   80    83    84    37.50000  110.70000
   80    83    85    58.35000  112.70000
   80    83    96    50.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    87    58.35000  112.70000
   83    85    90    50.00000  109.50000
   83    96    91    60.00000  109.50000
   85    83    84    37.50000  110.70000
   85    87    88    37.50000  110.70000
   85    87    89    37.50000  110.70000
   85    87    91    58.35000  112.70000
   85    90    93   100.00000  120.50000
   87    85    86    37.50000  110.70000
   87    91    92    37.50000  110.70000
   87    91    96    50.00000  109.50000
   87    91    97    58.35000  112.70000
   89    87    88    33.00000  107.80000
   91    87    88    37.50000  110.70000
   91    87    89    37.50000  110.70000
   91    97    98    37.50000  110.70000
   91    97    99    37.50000  110.70000
   91    97   100    37.50000  110.70000
   96    83    84    35.00000  109.50000
   96    83    85    50.00000  109.50000
   96    91    92    35.00000  109.50000
   97    91    92    37.50000  110.70000
   97    91    96    50.00000  109.50000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   90    85    86    35.00000  109.50000
   90    85    87    50.00000  109.50000
   90    93    94   100.00000  108.23000
   90    93    95   100.00000  108.23000
   90    93   101    45.00000  102.60000
   93   101   102    45.00000  108.50000
   95    93    94   140.00000  119.90000
  101    93    94   100.00000  108.23000
  101    93    95   100.00000  108.23000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    46   0.62750  1.0 1.0
   33    39    41    46  -0.30950 -1.0 2.0
   33    39    41    46   0.27300  1.0 3.0
   33    39    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    45   0.15000  1.0 3.0
   39    41   -43    47   0.56750  1.0 1.0
   39    41   -43    47  -0.07550 -1.0 2.0
   39    41   -43    47   0.20000  1.0 3.0
   39    41    46    49  -2.65550  1.0 1.0
   39    41    46    49  -0.22350 -1.0 2.0
   39    41    46    49   0.24150  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    47    53   0.56750  1.0 1.0
   41    43    47    53  -0.07550 -1.0 2.0
   41    43    47    53   0.20000  1.0 3.0
   41    46    49    50   0.00000  1.0 1.0
   41    46    49    51   0.00000  1.0 1.0
   41    46    49    57   0.05050  1.0 1.0
   41    46    49    57  -1.30700 -1.0 2.0
   41    46    49    57   0.91550  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    49   0.03000  1.0 3.0
   43    41    46    49  -2.65550  1.0 1.0
   43    41    46    49  -0.22350 -1.0 2.0
   43    41    46    49   0.24150  1.0 3.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   43    47    53    54   0.15000  1.0 3.0
   43    47    53    55   0.15000  1.0 3.0
   43    47    53    56   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    52   0.23400  1.0 3.0
   45    43    47    53   0.15000  1.0 3.0
   48    47    52    39   0.37050  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    56   0.15000  1.0 3.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    46   1.11900  1.0 1.0
   52    39    41    46  -1.16350 -1.0 2.0
   52    39    41    46  -0.34150  1.0 3.0
   52    47    53    54   0.23400  1.0 3.0
   52    47    53    55   0.23400  1.0 3.0
   52    47    53    56   0.23400  1.0 3.0
   53    47    52    39   0.06250  1.0 1.0
   53    47    52    39  -0.01100 -1.0 2.0
   53    47    52    39   0.28050  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    47   0.62750  1.0 1.0
   46    41    43    47  -0.30950 -1.0 2.0
   46    41    43    47   0.27300  1.0 3.0
   46    49    57    58   0.05050  1.0 1.0
   46    49    57    58  -1.30700 -1.0 2.0
   46    49    57    58   0.91550  1.0 3.0
   49    57    58    59   0.03000  1.0 3.0
   49    57    58    60   0.03000  1.0 3.0
   49    57    58    61  -2.65550  1.0 1.0
   49    57    58    61  -0.22350 -1.0 2.0
   49    57    58    61   0.24150  1.0 3.0
   50    49    57    58   0.00000  1.0 1.0
   51    49    57    58   0.00000  1.0 1.0
   57    58    61    62   0.23400  1.0 3.0
   57    58    61    63   0.62750  1.0 1.0
   57    58    61    63  -0.30950 -1.0 2.0
   57    58    61    63   0.27300  1.0 3.0
   57    58    61    74   1.11900  1.0 1.0
   57    58    61    74  -1.16350 -1.0 2.0
   57    58    61    74  -0.34150  1.0 3.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    65   0.56750  1.0 1.0
   58    61    63    65  -0.07550 -1.0 2.0
   58    61    63    65   0.20000  1.0 3.0
   58    61    63    68   0.62750  1.0 1.0
   58    61    63    68  -0.30950 -1.0 2.0
   58    61    63    68   0.27300  1.0 3.0
   58    61    74    69   0.06250  1.0 1.0
   58    61    74    69  -0.01100 -1.0 2.0
   58    61    74    69   0.28050  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    74   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    74   0.23400  1.0 3.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    67   0.15000  1.0 3.0
   61    63   -65    69   0.56750  1.0 1.0
   61    63   -65    69  -0.07550 -1.0 2.0
   61    63   -65    69   0.20000  1.0 3.0
   61    63    68    71  -2.65550  1.0 1.0
   61    63    68    71  -0.22350 -1.0 2.0
   61    63    68    71   0.24150  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    68   0.23400  1.0 3.0
   62    61    74    69   0.37050  1.0 3.0
   63    61   -74    69   0.06250  1.0 1.0
   63    61   -74    69  -0.01100 -1.0 2.0
   63    61   -74    69   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    74   0.62750  1.0 1.0
   63    65   -69    74  -0.30950 -1.0 2.0
   63    65   -69    74   0.27300  1.0 3.0
   63    65    69    75   0.56750  1.0 1.0
   63    65    69    75  -0.07550 -1.0 2.0
   63    65    69    75   0.20000  1.0 3.0
   63    68    71    72   0.00000  1.0 1.0
   63    68    71    73   0.00000  1.0 1.0
   63    68    71    79   0.05050  1.0 1.0
   63    68    71    79  -1.30700 -1.0 2.0
   63    68    71    79   0.91550  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    68    71   0.03000  1.0 3.0
   65    63    68    71  -2.65550  1.0 1.0
   65    63    68    71  -0.22350 -1.0 2.0
   65    63    68    71   0.24150  1.0 3.0
   65    69   -74    61   0.06250  1.0 1.0
   65    69   -74    61  -0.01100 -1.0 2.0
   65    69   -74    61   0.28050  1.0 3.0
   65    69    75    76   0.15000  1.0 3.0
   65    69    75    77   0.15000  1.0 3.0
   65    69    75    78   0.15000  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    74   0.23400  1.0 3.0
   66    65    69    75   0.15000  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    74   0.23400  1.0 3.0
   67    65    69    75   0.15000  1.0 3.0
   70    69    74    61   0.37050  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   74    61    63    64   0.23400  1.0 3.0
   74    61   -63    65   0.62750  1.0 1.0
   74    61   -63    65  -0.30950 -1.0 2.0
   74    61   -63    65   0.27300  1.0 3.0
   74    61    63    68   1.11900  1.0 1.0
   74    61    63    68  -1.16350 -1.0 2.0
   74    61    63    68  -0.34150  1.0 3.0
   74    69    75    76   0.23400  1.0 3.0
   74    69    75    77   0.23400  1.0 3.0
   74    69    75    78   0.23400  1.0 3.0
   75    69    74    61   0.06250  1.0 1.0
   75    69    74    61  -0.01100 -1.0 2.0
   75    69    74    61   0.28050  1.0 3.0
   68    63    65    66   0.23400  1.0 3.0
   68    63    65    67   0.23400  1.0 3.0
   68    63    65    69   0.62750  1.0 1.0
   68    63    65    69  -0.30950 -1.0 2.0
   68    63    65    69   0.27300  1.0 3.0
   68    71    79    80   0.05050  1.0 1.0
   68    71    79    80  -1.30700 -1.0 2.0
   68    71    79    80   0.91550  1.0 3.0
   71    79    80    81   0.03000  1.0 3.0
   71    79    80    82   0.03000  1.0 3.0
   71    79    80    83  -2.65550  1.0 1.0
   71    79    80    83  -0.22350 -1.0 2.0
   71    79    80    83   0.24150  1.0 3.0
   72    71    79    80   0.00000  1.0 1.0
   73    71    79    80   0.00000  1.0 1.0
   79    80    83    84   0.23400  1.0 3.0
   79    80    83    85   0.62750  1.0 1.0
   79    80    83    85  -0.30950 -1.0 2.0
   79    80    83    85   0.27300  1.0 3.0
   79    80    83    96   1.11900  1.0 1.0
   79    80    83    96  -1.16350 -1.0 2.0
   79    80    83    96  -0.34150  1.0 3.0
   80    83    85    86   0.15000  1.0 3.0
   80    83    85    87   0.56750  1.0 1.0
   80    83    85    87  -0.07550 -1.0 2.0
   80    83    85    87   0.20000  1.0 3.0
   80    83    85    90   0.62750  1.0 1.0
   80    83    85    90  -0.30950 -1.0 2.0
   80    83    85    90   0.27300  1.0 3.0
   80    83    96    91   0.06250  1.0 1.0
   80    83    96    91  -0.01100 -1.0 2.0
   80    83    96    91   0.28050  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    96   0.23400  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    96   0.23400  1.0 3.0
   83    85    87    88   0.15000  1.0 3.0
   83    85    87    89   0.15000  1.0 3.0
   83    85   -87    91   0.56750  1.0 1.0
   83    85   -87    91  -0.07550 -1.0 2.0
   83    85   -87    91   0.20000  1.0 3.0
   83    85    90    93  -2.65550  1.0 1.0
   83    85    90    93  -0.22350 -1.0 2.0
   83    85    90    93   0.24150  1.0 3.0
   84    83    85    86   0.15000  1.0 3.0
   84    83    85    87   0.15000  1.0 3.0
   84    83    85    90   0.23400  1.0 3.0
   84    83    96    91   0.37050  1.0 3.0
   85    83   -96    91   0.06250  1.0 1.0
   85    83   -96    91  -0.01100 -1.0 2.0
   85    83   -96    91   0.28050  1.0 3.0
   85    87    91    92   0.15000  1.0 3.0
   85    87   -91    96   0.62750  1.0 1.0
   85    87   -91    96  -0.30950 -1.0 2.0
   85    87   -91    96   0.27300  1.0 3.0
   85    87    91    97   0.56750  1.0 1.0
   85    87    91    97  -0.07550 -1.0 2.0
   85    87    91    97   0.20000  1.0 3.0
   85    90    93    94   0.00000  1.0 1.0
   85    90    93    95   0.00000  1.0 1.0
   85    90    93   101   0.05050  1.0 1.0
   85    90    93   101  -1.30700 -1.0 2.0
   85    90    93   101   0.91550  1.0 3.0
   86    85    87    88   0.15000  1.0 3.0
   86    85    87    89   0.15000  1.0 3.0
   86    85    87    91   0.15000  1.0 3.0
   86    85    90    93   0.03000  1.0 3.0
   87    85    90    93  -2.65550  1.0 1.0
   87    85    90    93  -0.22350 -1.0 2.0
   87    85    90    93   0.24150  1.0 3.0
   87    91   -96    83   0.06250  1.0 1.0
   87    91   -96    83  -0.01100 -1.0 2.0
   87    91   -96    83   0.28050  1.0 3.0
   87    91    97    98   0.15000  1.0 3.0
   87    91    97    99   0.15000  1.0 3.0
   87    91    97   100   0.15000  1.0 3.0
   88    87    91    92   0.15000  1.0 3.0
   88    87    91    96   0.23400  1.0 3.0
   88    87    91    97   0.15000  1.0 3.0
   89    87    91    92   0.15000  1.0 3.0
   89    87    91    96   0.23400  1.0 3.0
   89    87    91    97   0.15000  1.0 3.0
   92    91    96    83   0.37050  1.0 3.0
   92    91    97    98   0.15000  1.0 3.0
   92    91    97    99   0.15000  1.0 3.0
   92    91    97   100   0.15000  1.0 3.0
   96    83    85    86   0.23400  1.0 3.0
   96    83   -85    87   0.62750  1.0 1.0
   96    83   -85    87  -0.30950 -1.0 2.0
   96    83   -85    87   0.27300  1.0 3.0
   96    83    85    90   1.11900  1.0 1.0
   96    83    85    90  -1.16350 -1.0 2.0
   96    83    85    90  -0.34150  1.0 3.0
   96    91    97    98   0.23400  1.0 3.0
   96    91    97    99   0.23400  1.0 3.0
   96    91    97   100   0.23400  1.0 3.0
   97    91    96    83   0.06250  1.0 1.0
   97    91    96    83  -0.01100 -1.0 2.0
   97    91    96    83   0.28050  1.0 3.0
   90    85    87    88   0.23400  1.0 3.0
   90    85    87    89   0.23400  1.0 3.0
   90    85    87    91   0.62750  1.0 1.0
   90    85    87    91  -0.30950 -1.0 2.0
   90    85    87    91   0.27300  1.0 3.0
   90    93   101   102   0.00000  1.0 1.0
   94    93   101   102   0.00000  1.0 1.0
   95    93   101   102   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
END
