* LIGAND DATABASE FILE (OPLS2005)
*
001     101   106    194    323     583
    1     0 S   NP   _N1_     1    32.96669   102.13849   -13.44145
    2     1 S   H    _HN1     2     1.02820    42.82583  -111.13991
    3     1 S   H    _H1_     3     1.02908    69.00575    42.97878
    4     1 S   H    _H2_     4     1.02879   103.01629   146.90687
    5     1 S   CT   _CA1     5     1.50213   143.83392   -54.27754
    6     5 S   HC   _HA1     6     1.09662   104.98767   -96.38643
    7     5 S   CO3  _C1_     7     1.53978   111.56087   145.31027
    8     7 S   O2Z  _O11     8     1.26239   115.64216   -75.80444
    9     7 S   O2Z  _O12     9     1.26363   114.54582   102.68325
   10     5 S   CT   _CB1    10     1.53122   107.10141    19.80846
   11    10 S   HC   HB11    11     1.09827   108.98229   -55.12973
   12    10 S   HC   HB12    12     1.09666   110.75687    61.12082
   13    10 S   CT   _CG1    13     1.52915   112.52436  -176.22789
   14    13 S   HC   HG11    14     1.09598   110.36524   -66.48702
   15    13 S   HC   HG12    15     1.09630   109.84914    52.79481
   16    13 S   C    _CD1    16     1.51766   112.58842   172.55039
   17    16 S   O    _OE1    17     1.22717   123.23944    -4.62101
   18    16 S   N    _N2_    18     1.38618   111.65074   175.56800
   19    18 S   H    _HN2    19     1.01643   118.90511     2.14229
   20    18 S   CT1  _CA2    20     1.45649   123.16101   174.28207
   21    20 S   HC   _HA2    21     1.09659   109.53561     2.59518
   22    20 S   C    _C2_    22     1.52946   105.69376  -114.11946
   23    22 S   O    _O2_    23     1.23025   122.80699   -30.44926
   24    20 S   CT   _CB2    32     1.53109   113.11992   126.74023
   25    24 S   HC   HB21    33     1.09519   111.58979    49.94527
   26    24 S   HC   HB22    34     1.09622   109.30799   166.80593
   27    22 S   N    _N3_    24     1.38428   112.74373   152.51291
   28    27 S   H    _HN3    25     1.01661   120.43519    -2.14731
   29    24 S   S    _SG2    35     1.82933   113.69292   -75.65698
   30    27 S   CT   _CA3    26     1.45366   122.44935   178.52117
   31    30 S   HC   HA31    27     1.09568   107.80102   -55.85606
   32    30 S   HC   HA32    28     1.09563   107.61898    60.47561
   33    29 S   CT   _C28    36     1.83606   100.97067    82.54345
   34    33 S   HC   _H3_    37     1.08874   106.84642   -66.78241
   35    30 S   CO3  _C3_    29     1.52884   114.32821  -177.76717
   36    35 S   O2Z  _O31    30     1.26333   116.04423    -0.46772
   37    35 S   O2Z  _O32    31     1.26431   114.40222   179.49410
   38    33 S   CT   _C19    38     1.53846   110.90977   171.77109
   39    38 S   HC   _H51    39     1.10098   108.11037   -61.69545
   40    38 S   C    _C13    40     1.52802   115.53066    57.21571
   41    40 S   O    _O30    41     1.23013   121.55986   -98.44863
   42    38 S   CT   _C21    67     1.55113   110.98011  -177.44825
   43    42 S   HC   _H53    68     1.10119   106.69302   167.90869
   44    40 S   N    _N28    42     1.37741   114.33164    82.95974
   45    42 S   CT   _C20    69     1.55063   109.31098    52.16628
   46    45 S   HC   _H52    70     1.10096   106.61754    63.35765
   47    44 S   CT   _C16    43     1.46093   123.75468   172.82329
   48    47 S   HC   _H46    44     1.09370   109.11679    68.73328
   49    47 S   HC   _H47    45     1.09352   109.43828   -52.03026
   50    45 S   CO   _C26    71     1.54379   110.41429   -52.08939
   51    50 S   HC   _H58    72     1.09759   110.95876   -64.29065
   52    45 S   CM   _C15    97     1.51198   112.69877  -178.45010
   53    52 S   HC   _H45    98     1.08734   117.99922    71.57793
   54    47 S   CM   _C11    46     1.48039   101.18557  -172.01448
   55    33 S   OS   _O34    73     1.42840   109.86717    51.12211
   56    50 S   OS1  _O39    74     1.43326   108.22946   175.60921
   57    52 S   CM   _C14    99     1.33837   123.86205  -109.36576
   58    57 S   HC   _H43   100     1.08472   120.45947  -179.48490
   59    57 S   HC   _H44   101     1.08447   121.63640     0.45154
   60    54 S   CO4  _C10    47     1.47240   127.65447   176.33831
   61    60 S   O    _O29    48     1.22314   121.70377    -0.32143
   62    54 S   CM   _C12    61     1.33762   112.74320    -3.86665
   63    56 S   CO1  _C27    75     1.43317   112.71888   168.17305
   64    63 S   HC   _H59    76     1.09799   109.01042    48.74124
   65    60 S   CA   _C8_    49     1.49469   116.03480   179.55325
   66    44 S   CT   _C18    62     1.45829   123.04609    -6.66091
   67    66 S   HC   _H50    63     1.09464   107.57286   -74.31206
   68    63 S   CT   _C24    77     1.53312   107.38253   168.01671
   69    68 S   HC   _H56    78     1.09681   110.01051    52.19519
   70    65 S   CA   _C6_    50     1.39670   120.00080   179.98022
   71    70 S   HA   _H41    51     1.08643   121.18653     0.02798
   72    66 S   CT   _C17    64     1.52567   111.59147    46.93939
   73    72 S   HC   _H48    65     1.09882   110.31675    88.47698
   74    72 S   HC   _H49    66     1.09584   107.61837  -157.07008
   75    68 S   CT   _C22    79     1.53071   111.20073   174.16810
   76    75 S   HC   _H54    80     1.09669   110.26341    73.44025
   77    68 S   OH5  _O37    95     1.42947   109.95605   -64.53527
   78    77 S   HO   _H66    96     0.97231   108.21125   -59.90830
   79    70 S   CA   _C4_    52     1.39483   119.45079  -179.90513
   80    79 S   HA   _H39    53     1.08666   119.86006   179.91153
   81    75 S   CT   _C23    81     1.53161   111.29818   -49.25505
   82    81 S   HC   _H55    82     1.09703   109.06766   -71.29272
   83    75 S   OH5  _O35    93     1.42946   109.62336  -170.65778
   84    83 S   HO   _H64    94     0.97241   108.12861    60.74076
   85    79 S   CA   _C5_    54     1.39618   120.30105     0.11535
   86    85 S   HA   _H40    55     1.08666   119.81309   179.66370
   87    81 S   CT   _C25    83     1.53178   110.67319    49.99750
   88    87 S   HC   _H57    84     1.09844   111.00036    64.49612
   89    81 S   OH5  _O36    91     1.42603   109.66889   171.85290
   90    89 S   HO   _H65    92     0.97263   108.20224   -58.56340
   91    85 S   CA   _C7_    56     1.39634   120.33851    -0.11191
   92    91 S   HA   _H42    57     1.08720   119.36864   179.58035
   93    63 S   OS1  _O33    85     1.42754   110.33182   -72.16424
   94    87 S   CT   _C29    86     1.52938   111.55348  -174.39080
   95    94 S   HC   _H61    87     1.09535   110.82761    70.63412
   96    94 S   HC   _H62    88     1.09358   111.95884   -51.93180
   97    65 S   CA   _C9_    58     1.41379   119.30785    -0.11535
   98    94 S   OH5  _O38    89     1.42356   108.62923  -170.80696
   99    98 S   HO   _H67    90     0.97486   107.34649  -162.29203
  100    97 S   NE   _N27    59     1.40266   120.03644     0.23985
  101   100 S   H    _H63    60     1.01549   120.41653  -177.41927
  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   8   5   4   3
  14   6   2   1   1  16   8  14   4  17   8  12  15   8  11   5
   4  11   4   7   3  11   2   8   2   1   1  10   4  10  13   6
  10   7   4  12   7   8   4   3   1   1  13   7   4   1   6   3
  12   7   3   1   5   3   9   6   3   1   4   2   4   4   3   2
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    50    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    72    42    43    45    50    51    55    56  
   38    39    40    42    50    55  
   36    37  
   37  
    0  
   39    40    41    44    47    66    72    73    74    42    43    45    46    50    55    52  
   40    41    44    72    42    43    45    55  
   41    44    47    48    49    54    62    66    67    72    42    43    45    55  
   44    47    66    42  
   43    45    46    50    51    55    56    52    53    57    44    62    66    67    72    73    74  
   45    46    50    52    66    72    73    74  
   47    48    49    54    60   100    62    66    67    72    73    74  
   46    50    51    55    56    63    52    53    57    58    59    66    72    73    74  
   50    51    55    56    52    53    57    72  
   48    49    54    60    61    65   100    62    66    67    72  
   49    54    60    62    66  
   54    60    62    66  
   51    55    56    63    64    68    93    52    53    57    72  
   55    56    63    52  
   53    57    58    59    55    56    72  
   57    58    59  
   60    61    65    70    97   100   101    62    66    67    72  
   56    63  
   63    64    68    69    75    87    93    77  
   58    59  
   59  
    0  
   61    65    70    71    79    91    97   100    62    66  
   65    70    97    62  
   66    67    72    73    74    65    91    97   100   101  
   64    68    69    75    76    81    87    88    93    94    83    77    78  
   68    69    75    87    93    77  
   70    71    79    80    85    91    92    97   100   101  
   67    72    73    74    97   100   101  
   72    73    74   100  
   69    75    76    81    82    87    93    89    83    84    77    78  
   75    76    81    93    83    77    78  
   71    79    80    85    86    91    97   100  
   79    80    85    97  
   73    74   100  
   74  
    0  
   76    81    82    87    88    93    94    89    90    83    84    77    78  
   81    82    87    89    83    84    77  
   78    81    83    93  
    0  
   80    85    86    91    92    97  
   85    86    91  
   82    87    88    93    94    95    96    98    89    90    83    84  
   87    88    93    94    89    90    83  
   84    87    89  
    0  
   86    91    92    97   100  
   91    92    97  
   88    93    94    95    96    98    99    89    90  
   93    94    95    96    98    89  
   90    93    94  
    0  
   92    97   100   101  
   97   100  
   94    95    96    98  
   95    96    98    99  
   96    98    99  
   98    99  
  100   101  
   99  
    0  
  101  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   94   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  100   3.2500   0.1700  -0.571700   1.8650   1.6500   0.051222218  -2.220205820
  101   0.5000   0.0300   0.353700   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    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   268.000  1.529
   33    55   320.000  1.410
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    44   490.000  1.335
   44    47   337.000  1.449
   44    66   337.000  1.449
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   317.000  1.510
   54    60   320.000  1.462
   54    62   549.000  1.340
   60    61   570.000  1.229
   60    65   310.000  1.470
   65    70   469.000  1.400
   65    97   469.000  1.400
   70    71   367.000  1.080
   70    79   469.000  1.400
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   367.000  1.080
   85    91   469.000  1.400
   91    92   367.000  1.080
   91    97   469.000  1.400
   97   100   481.000  1.340
  100   101   434.000  1.010
  100    62   425.000  1.378
   62    66   317.000  1.510
   66    67   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    42   268.000  1.529
   42    43   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    50   250.000  1.527
   45    52   317.000  1.510
   50    51   340.000  1.090
   50    55   320.000  1.380
   50    56   320.000  1.380
   56    63   370.000  1.399
   63    64   360.000  1.097
   63    68   255.000  1.525
   63    93   370.000  1.399
   68    69   340.000  1.090
   68    75   268.000  1.529
   68    77   355.000  1.421
   75    76   340.000  1.090
   75    81   268.000  1.529
   75    83   355.000  1.421
   81    82   340.000  1.090
   81    87   268.000  1.529
   81    89   355.000  1.421
   87    88   340.000  1.090
   87    93   335.000  1.422
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    98   355.000  1.421
   98    99   580.000  0.967
   89    90   580.000  0.967
   83    84   580.000  0.967
   77    78   580.000  0.967
   52    53   340.000  1.080
   52    57   549.000  1.340
   57    58   340.000  1.080
   57    59   340.000  1.080
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  111.63000
   29    33    55    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    55    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    44    70.00000  116.60000
   38    42    72    58.35000  112.70000
   38    42    43    37.50000  110.70000
   38    42    45    58.35000  112.70000
   40    38    39    35.00000  109.50000
   40    44    47    50.00000  121.90000
   40    44    66    50.00000  121.90000
   44    40    41    80.00000  122.90000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    54    75.00000  110.78400
   44    66    62    75.00000  110.78400
   44    66    67    35.00000  109.50000
   44    66    72    70.00000  110.72300
   47    54    60    65.00000  116.34900
   47    54    62    70.00000  124.00000
   49    47    48    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    49    35.00000  109.50000
   54    60    61    80.00000  123.72100
   54    60    65    65.00000  117.02400
   54    62   100    70.00000  124.03900
   54    62    66    70.00000  124.00000
   60    65    70    60.00000  119.52600
   60    65    97    60.00000  119.52600
   65    60    61    75.00000  123.78400
   65    70    71    35.00000  120.00000
   65    70    79    63.00000  120.00000
   65    97    91    63.00000  120.00000
   65    97   100    70.00000  120.10000
   70    79    80    35.00000  120.00000
   70    79    85    63.00000  120.00000
   79    70    71    35.00000  120.00000
   79    85    86    35.00000  120.00000
   79    85    91    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    91    92    35.00000  120.00000
   85    91    97    63.00000  120.00000
   91    85    86    35.00000  120.00000
   91    97   100    70.00000  120.10000
   97    65    70    63.00000  120.00000
   97    91    92    35.00000  120.00000
   97   100   101    35.00000  113.50000
   97   100    62    75.00000  121.78000
  100    62    66    75.00000  116.24600
   62    54    60    65.00000  118.96000
   62   100   101    35.00000  114.50000
   62    66    67    35.00000  109.50000
   62    66    72    70.00000  112.02700
   66    44    47    50.00000  118.00000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    42    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    42    43    37.50000  110.70000
   72    42    45    58.35000  112.70000
   74    72    73    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    72    73    37.50000  110.70000
   42    72    74    37.50000  110.70000
   42    45    46    37.50000  110.70000
   42    45    50    75.00000  109.43000
   42    45    52    70.00000  112.02700
   45    42    43    37.50000  110.70000
   45    50    51    45.00000  112.01100
   45    50    55    90.00000  108.56700
   45    50    56    90.00000  108.56700
   45    52    53    35.00000  117.00000
   45    52    57    70.00000  124.00000
   50    45    46    45.00000  108.72000
   50    56    63    90.00000  112.10700
   55    33    34    35.00000  109.50000
   55    33    38    50.00000  109.50000
   55    50    51    35.00000  109.50000
   56    50    51    35.00000  109.50000
   56    50    55    92.60000  111.55000
   56    63    64    60.00000  105.75400
   56    63    68    90.00000  109.70700
   56    63    93   110.00000  113.16000
   63    68    69    45.00000  109.54000
   63    68    75    70.00000  111.10000
   63    68    77    90.00000  109.42000
   63    93    87    90.00000  112.10700
   68    63    64    45.00000  111.65000
   68    75    76    37.50000  110.70000
   68    75    81    58.35000  112.70000
   68    75    83    90.00000  111.45300
   68    77    78    65.00000  108.53500
   75    68    69    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    87    58.35000  112.70000
   75    81    89    90.00000  111.45300
   75    83    84    65.00000  108.53500
   81    75    76    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    93    95.00000  107.88500
   81    87    94    58.35000  112.70000
   81    89    90    65.00000  108.53500
   87    81    82    37.50000  110.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    98    90.00000  111.45300
   93    63    64    60.00000  105.75400
   93    63    68    90.00000  109.70700
   93    87    88    55.00000  108.98800
   94    87    88    37.50000  110.70000
   94    87    93    95.00000  107.88500
   94    98    99    65.00000  108.53500
   96    94    95    33.00000  107.80000
   98    94    95    60.00000  109.39000
   98    94    96    60.00000  109.39000
   89    81    82    60.00000  109.39000
   89    81    87    90.00000  111.45300
   83    75    76    60.00000  109.39000
   83    75    81    90.00000  111.45300
   77    68    69    60.00000  109.39000
   77    68    75    90.00000  111.45300
   52    45    46    35.00000  109.50000
   52    45    50    70.00000  112.02700
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   57    52    53    35.00000  120.00000
   59    57    58    35.00000  117.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    55   0.13850  1.0 1.0
   24    29    33    55  -1.34450 -1.0 2.0
   24    29    33    55   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    55    50   0.14700  1.0 1.0
   29    33    55    50  -1.16150 -1.0 2.0
   29    33    55    50   0.48700  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    44   1.39750  1.0 1.0
   33    38    40    44  -0.07950 -1.0 2.0
   33    38    40    44  -0.18750  1.0 3.0
   33    38    42    72   0.56750  1.0 1.0
   33    38    42    72  -0.07550 -1.0 2.0
   33    38    42    72   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    45   0.56750  1.0 1.0
   33    38    42    45  -0.07550 -1.0 2.0
   33    38    42    45   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    55    50   0.37050  1.0 3.0
   38    33    55    50   0.06250  1.0 1.0
   38    33    55    50  -0.01100 -1.0 2.0
   38    33    55    50   0.28050  1.0 3.0
   38    40    44    47   1.49850  1.0 1.0
   38    40    44    47   1.53950 -1.0 2.0
   38    40    44    66   1.49850  1.0 1.0
   38    40    44    66   1.53950 -1.0 2.0
   38    42    45    46   0.15000  1.0 3.0
   38    42   -45    50   3.97050  1.0 1.0
   38    42    45    52   0.34400  1.0 1.0
   38    42    45    52   0.09450 -1.0 2.0
   38    42    45    52   0.11100  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    72   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   40    38    42    72  -0.95700  1.0 1.0
   40    38    42    72  -0.18200 -1.0 2.0
   40    38    42    72   0.29450  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    45  -0.95700  1.0 1.0
   40    38    42    45  -0.18200 -1.0 2.0
   40    38    42    45   0.29450  1.0 3.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    49   0.00000  1.0 1.0
   40    44    47    54  -0.19250  1.0 1.0
   40    44    47    54  -0.00500 -1.0 2.0
   40    44    47    54   0.17000  1.0 3.0
   40    44    66    62  -0.19250  1.0 1.0
   40    44    66    62  -0.00500 -1.0 2.0
   40    44    66    62   0.17000  1.0 3.0
   40    44    66    67   0.00000  1.0 1.0
   40    44   -66    72  -0.43950  1.0 1.0
   40    44   -66    72  -0.08100 -1.0 2.0
   40    44   -66    72   0.03350  1.0 3.0
   41    40    44    47   3.04450 -1.0 2.0
   41    40    44    66   3.04450 -1.0 2.0
   44    47    54    60   0.09700  1.0 1.0
   44    47    54    60   0.15600 -1.0 2.0
   44    47    54    60  -0.50800  1.0 3.0
   44    47   -54    62   0.62150  1.0 1.0
   44    47   -54    62   0.42850 -1.0 2.0
   44    47   -54    62  -0.68200  1.0 3.0
   44    66    72    73   0.15000  1.0 3.0
   44    66    72    74   0.15000  1.0 3.0
   44    66    72    42   0.43900  1.0 1.0
   44    66    72    42   0.49100 -1.0 2.0
   44    66    72    42   0.28400  1.0 3.0
   47    44   -66    62   0.17850 -1.0 2.0
   47    44    66    67   0.00000  1.0 1.0
   47    44    66    72  -0.05900 -1.0 2.0
   47    54    60    61  -0.64400  1.0 1.0
   47    54    60    61   0.26850 -1.0 2.0
   47    54    60    65   1.50000 -1.0 2.0
   47    54    62   100   7.00000 -1.0 2.0
   47    54   -62    66   7.00000 -1.0 2.0
   48    47    54    60   0.15000  1.0 3.0
   48    47    54    62   0.00000  1.0 1.0
   49    47    54    60   0.15000  1.0 3.0
   49    47    54    62   0.00000  1.0 1.0
   54    60    65    70  -0.11500  1.0 1.0
   54    60    65    70   1.10450 -1.0 2.0
   54    60    65    70  -0.48050  1.0 3.0
   54    60    65    97  -0.11500  1.0 1.0
   54    60    65    97   1.10450 -1.0 2.0
   54    60    65    97  -0.48050  1.0 3.0
   54    62   -66    44   0.62150  1.0 1.0
   54    62   -66    44   0.42850 -1.0 2.0
   54    62   -66    44  -0.68200  1.0 3.0
   54    62    66    67   0.00000  1.0 1.0
   54    62    66    72   0.09850  1.0 1.0
   54    62    66    72   0.15250 -1.0 2.0
   54    62    66    72  -0.50650  1.0 3.0
   60    54    62   100   7.00000 -1.0 2.0
   60    54    62    66   7.00000 -1.0 2.0
   60    65    70    71   3.62500 -1.0 2.0
   60    65    70    79   3.62500 -1.0 2.0
   60    65    97    91   3.62500 -1.0 2.0
   60    65   -97   100   3.62500 -1.0 2.0
   61    60    65    70   1.05000 -1.0 2.0
   61    60    65    97   1.05000 -1.0 2.0
   65    70    79    80   3.62500 -1.0 2.0
   65    70    79    85   3.62500 -1.0 2.0
   65    97   100   101   1.00000 -1.0 2.0
   65    97   100    62   0.70250  1.0 1.0
   65    97   100    62   1.56150 -1.0 2.0
   70    65    97    91   3.62500 -1.0 2.0
   70    65    97   100   3.62500 -1.0 2.0
   70    79    85    86   3.62500 -1.0 2.0
   70    79   -85    91   3.62500 -1.0 2.0
   71    70    79    80   3.62500 -1.0 2.0
   71    70    79    85   3.62500 -1.0 2.0
   79    85    91    92   3.62500 -1.0 2.0
   79    85    91    97   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    91   3.62500 -1.0 2.0
   85    91   -97    65   3.62500 -1.0 2.0
   85    91    97   100   3.62500 -1.0 2.0
   86    85    91    92   3.62500 -1.0 2.0
   86    85    91    97   3.62500 -1.0 2.0
   91    97   100   101   1.00000 -1.0 2.0
   91    97   100    62   0.70250  1.0 1.0
   91    97   100    62   1.56150 -1.0 2.0
   92    91    97    65   3.62500 -1.0 2.0
   92    91    97   100   3.62500 -1.0 2.0
   97    65    70    71   3.62500 -1.0 2.0
   97    65   -70    79   3.62500 -1.0 2.0
   97   100   -62    54  -0.54500  1.0 1.0
   97   100   -62    54   1.14150 -1.0 2.0
   97   100    62    66   1.00000 -1.0 2.0
  100    62    66    44   0.09700  1.0 1.0
  100    62    66    44   0.15600 -1.0 2.0
  100    62    66    44  -0.50800  1.0 3.0
  100    62    66    67  -0.18050  1.0 3.0
  100    62    66    72  -0.93550  1.0 1.0
  100    62    66    72   0.38900 -1.0 2.0
  100    62    66    72   0.16950  1.0 3.0
  101   100    62    54   1.00000 -1.0 2.0
  101   100    62    66   2.40850 -1.0 2.0
   62    54    60    61   1.00000 -1.0 2.0
   62    54   -60    65  -1.65800  1.0 1.0
   62    54   -60    65   0.77650 -1.0 2.0
   62    66    72    73   0.15000  1.0 3.0
   62    66    72    74   0.15000  1.0 3.0
   62    66    72    42   0.34400  1.0 1.0
   62    66    72    42   0.09450 -1.0 2.0
   62    66    72    42   0.11100  1.0 3.0
   66    44    47    48   0.00000  1.0 1.0
   66    44    47    49   0.00000  1.0 1.0
   66    44   -47    54   0.17850 -1.0 2.0
   66    72   -42    38   0.56750  1.0 1.0
   66    72   -42    38  -0.07550 -1.0 2.0
   66    72   -42    38   0.20000  1.0 3.0
   66    72    42    43   0.15000  1.0 3.0
   66    72    42    45   0.56750  1.0 1.0
   66    72    42    45  -0.07550 -1.0 2.0
   66    72    42    45   0.20000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    42   0.15000  1.0 3.0
   72    42    45    46   0.15000  1.0 3.0
   72    42    45    50   3.97050  1.0 1.0
   72    42    45    52   0.34400  1.0 1.0
   72    42    45    52   0.09450 -1.0 2.0
   72    42    45    52   0.11100  1.0 3.0
   73    72    42    38   0.15000  1.0 3.0
   73    72    42    43   0.15000  1.0 3.0
   73    72    42    45   0.15000  1.0 3.0
   74    72    42    38   0.15000  1.0 3.0
   74    72    42    43   0.15000  1.0 3.0
   74    72    42    45   0.15000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38   -40    44   1.39750  1.0 1.0
   42    38   -40    44  -0.07950 -1.0 2.0
   42    38   -40    44  -0.18750  1.0 3.0
   42    45    50    51   0.15000  1.0 3.0
   42    45    50    55   0.62750  1.0 1.0
   42    45    50    55  -0.30950 -1.0 2.0
   42    45    50    55   0.27300  1.0 3.0
   42    45    50    56   0.62750  1.0 1.0
   42    45    50    56  -0.30950 -1.0 2.0
   42    45    50    56   0.27300  1.0 3.0
   42    45    52    53   0.00000  1.0 1.0
   42    45    52    57   0.09850  1.0 1.0
   42    45    52    57   0.15250 -1.0 2.0
   42    45    52    57  -0.50650  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    50   0.15000  1.0 3.0
   43    42    45    52   0.15000  1.0 3.0
   45    50   -55    33   0.06250  1.0 1.0
   45    50   -55    33  -0.01100 -1.0 2.0
   45    50   -55    33   0.28050  1.0 3.0
   45    50    56    63   0.06250  1.0 1.0
   45    50    56    63  -0.01100 -1.0 2.0
   45    50    56    63   0.28050  1.0 3.0
   45    52    57    58   7.00000 -1.0 2.0
   45    52    57    59   7.00000 -1.0 2.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    55   0.23400  1.0 3.0
   46    45    50    56   0.23400  1.0 3.0
   46    45    52    53   0.33100  1.0 3.0
   46    45    52    57   0.00000  1.0 1.0
   50    45    52    53   0.00000  1.0 1.0
   50    45    52    57   0.09850  1.0 1.0
   50    45    52    57   0.15250 -1.0 2.0
   50    45    52    57  -0.50650  1.0 3.0
   50    56    63    64   0.37050  1.0 3.0
   50    56    63    68   0.06250  1.0 1.0
   50    56    63    68  -0.01100 -1.0 2.0
   50    56    63    68   0.28050  1.0 3.0
   50    56    63    93  -0.12700  1.0 1.0
   50    56    63    93  -1.16200 -1.0 2.0
   50    56    63    93   0.58800  1.0 3.0
   51    50    55    33   0.37050  1.0 3.0
   51    50    56    63   0.37050  1.0 3.0
   55    33    38    39   0.23400  1.0 3.0
   55    33    38    40  -0.09450  1.0 1.0
   55    33    38    40  -1.12950 -1.0 2.0
   55    33    38    40   0.54000  1.0 3.0
   55    33   -38    42   0.62750  1.0 1.0
   55    33   -38    42  -0.30950 -1.0 2.0
   55    33   -38    42   0.27300  1.0 3.0
   55    50    56    63  -0.53350  1.0 1.0
   55    50    56    63  -0.78350 -1.0 2.0
   55    50    56    63   0.33750  1.0 3.0
   56    50    55    33  -0.81800  1.0 1.0
   56    63    68    69   0.23400  1.0 3.0
   56    63    68    75   0.62750  1.0 1.0
   56    63    68    75  -0.30950 -1.0 2.0
   56    63    68    75   0.27300  1.0 3.0
   56    63    68    77   1.51850  1.0 1.0
   56    63    93    87  -0.70400  1.0 1.0
   56    63    93    87  -0.90350 -1.0 2.0
   63    68    75    76   0.15000  1.0 3.0
   63    68    75    81   0.56750  1.0 1.0
   63    68    75    81  -0.07550 -1.0 2.0
   63    68    75    81   0.20000  1.0 3.0
   63    68    75    83  -0.47750  1.0 1.0
   63    68    77    78   0.29150  1.0 1.0
   63    68    77    78  -0.28350 -1.0 2.0
   63    68    77    78   0.43600  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    75   0.15000  1.0 3.0
   64    63    68    77   0.23400  1.0 3.0
   64    63    93    87   0.37050  1.0 3.0
   68    63    93    87   0.06250  1.0 1.0
   68    63    93    87  -0.01100 -1.0 2.0
   68    63    93    87   0.28050  1.0 3.0
   68    75    81    82   0.15000  1.0 3.0
   68    75   -81    87   0.56750  1.0 1.0
   68    75   -81    87  -0.07550 -1.0 2.0
   68    75   -81    87   0.20000  1.0 3.0
   68    75    81    89  -0.47750  1.0 1.0
   68    75    83    84   0.29150  1.0 1.0
   68    75    83    84  -0.28350 -1.0 2.0
   68    75    83    84   0.43600  1.0 3.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    81   0.15000  1.0 3.0
   69    68    75    83   0.23400  1.0 3.0
   69    68    77    78   0.19450  1.0 3.0
   75    68    77    78   0.29150  1.0 1.0
   75    68    77    78  -0.28350 -1.0 2.0
   75    68    77    78   0.43600  1.0 3.0
   75    81    87    88   0.15000  1.0 3.0
   75    81    87    93   0.62750  1.0 1.0
   75    81    87    93  -0.30950 -1.0 2.0
   75    81    87    93   0.27300  1.0 3.0
   75    81    87    94   0.56750  1.0 1.0
   75    81    87    94  -0.07550 -1.0 2.0
   75    81    87    94   0.20000  1.0 3.0
   75    81    89    90   0.29150  1.0 1.0
   75    81    89    90  -0.28350 -1.0 2.0
   75    81    89    90   0.43600  1.0 3.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    87   0.15000  1.0 3.0
   76    75    81    89   0.23400  1.0 3.0
   76    75    83    84   0.19450  1.0 3.0
   81    75    83    84   0.29150  1.0 1.0
   81    75    83    84  -0.28350 -1.0 2.0
   81    75    83    84   0.43600  1.0 3.0
   81    87   -93    63   0.06250  1.0 1.0
   81    87   -93    63  -0.01100 -1.0 2.0
   81    87   -93    63   0.28050  1.0 3.0
   81    87    94    95   0.15000  1.0 3.0
   81    87    94    96   0.15000  1.0 3.0
   81    87    94    98  -0.47750  1.0 1.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    93   0.23400  1.0 3.0
   82    81    87    94   0.15000  1.0 3.0
   82    81    89    90   0.19450  1.0 3.0
   87    81    89    90   0.29150  1.0 1.0
   87    81    89    90  -0.28350 -1.0 2.0
   87    81    89    90   0.43600  1.0 3.0
   87    94    98    99   0.29150  1.0 1.0
   87    94    98    99  -0.28350 -1.0 2.0
   87    94    98    99   0.43600  1.0 3.0
   88    87    93    63   0.37050  1.0 3.0
   88    87    94    95   0.15000  1.0 3.0
   88    87    94    96   0.15000  1.0 3.0
   88    87    94    98   0.23400  1.0 3.0
   93    63    68    69   0.23400  1.0 3.0
   93    63   -68    75   0.62750  1.0 1.0
   93    63   -68    75  -0.30950 -1.0 2.0
   93    63   -68    75   0.27300  1.0 3.0
   93    63    68    77   1.51850  1.0 1.0
   93    87    94    95   0.23400  1.0 3.0
   93    87    94    96   0.23400  1.0 3.0
   93    87    94    98   1.51850  1.0 1.0
   94    87    93    63   0.06250  1.0 1.0
   94    87    93    63  -0.01100 -1.0 2.0
   94    87    93    63   0.28050  1.0 3.0
   95    94    98    99   0.19450  1.0 3.0
   96    94    98    99   0.19450  1.0 3.0
   89    81    87    88   0.23400  1.0 3.0
   89    81    87    93   1.51850  1.0 1.0
   89    81    87    94  -0.47750  1.0 1.0
   83    75    81    82   0.23400  1.0 3.0
   83    75    81    87  -0.47750  1.0 1.0
   83    75    81    89   3.77950  1.0 1.0
   77    68    75    76   0.23400  1.0 3.0
   77    68    75    81  -0.47750  1.0 1.0
   77    68    75    83   3.77950  1.0 1.0
   52    45    50    51   0.15000  1.0 3.0
   52    45    50    55   0.61850  1.0 1.0
   52    45    50    55  -0.22750 -1.0 2.0
   52    45    50    55   0.15300  1.0 3.0
   52    45    50    56   0.61850  1.0 1.0
   52    45    50    56  -0.22750 -1.0 2.0
   52    45    50    56   0.15300  1.0 3.0
   53    52    57    58   7.00000 -1.0 2.0
   53    52    57    59   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   66    40    44    47   1.00000 -1.0 2.0
   47    60    54    62   1.10000 -1.0 2.0
   54    65    60    61  10.50000 -1.0 2.0
   70    97    65    60   4.00000 -1.0 2.0
   79    71    70    65   1.10000 -1.0 2.0
   85    80    79    70   1.10000 -1.0 2.0
   91    86    85    79   1.10000 -1.0 2.0
   97    92    91    85   1.10000 -1.0 2.0
   91   100    97    65   4.00000 -1.0 2.0
  101    62   100    97   1.00000 -1.0 2.0
  100    66    62    54   1.10000 -1.0 2.0
   45    53    52    57  15.00000 -1.0 2.0
   58    59    57    52  15.00000 -1.0 2.0
END
