* LIGAND DATABASE FILE (OPLS2005)
*
001     108   108    196    298     583
    1     0 S   NP   _N1_     1    29.03796    97.67685   -24.43402
    2     1 S   H    _HN1     2     1.02950    65.75002    13.10437
    3     1 S   H    _H1_     3     1.02829    43.72108   172.71705
    4     1 S   H    _H2_     4     1.02786   107.61099   -89.56926
    5     1 S   CT   _CA1     5     1.50108   138.58438   106.98144
    6     5 S   HC   _HA1     6     1.09573   105.20519   101.62189
    7     5 S   CO3  _C1_     7     1.53796   112.43120   -18.62811
    8     7 S   O2Z  _O11     8     1.26371   115.01386   -43.42949
    9     7 S   O2Z  _O12     9     1.26240   114.94739   135.70935
   10     5 S   CT   _CB1    10     1.53083   107.42100  -140.40349
   11    10 S   HC   HB11    11     1.09832   109.39432   -49.77718
   12    10 S   HC   HB12    12     1.09812   110.44563    66.83654
   13    10 S   CT   _CG1    13     1.52984   112.58620  -170.75450
   14    13 S   HC   HG11    14     1.09586   110.61345   -65.08498
   15    13 S   HC   HG12    15     1.09669   109.80339    54.13504
   16    13 S   C    _CD1    16     1.51804   112.24860   174.60087
   17    16 S   O    _OE1    17     1.22733   123.29216     5.99339
   18    16 S   N    _N2_    18     1.38629   111.62920  -174.07520
   19    18 S   H    _HN2    19     1.01592   118.99655     1.72624
   20    18 S   CT1  _CA2    20     1.46238   123.49611   178.11924
   21    20 S   HC   _HA2    21     1.09736   109.29635     3.94169
   22    20 S   C    _C2_    22     1.53592   109.04017  -111.59644
   23    22 S   O    _O2_    23     1.23072   122.22180  -151.11930
   24    20 S   CT   _CB2    32     1.53307   111.28350   125.84026
   25    24 S   HC   HB21    33     1.09514   109.77479    55.69744
   26    24 S   HC   HB22    34     1.09509   110.49021   174.79271
   27    22 S   N    _N3_    24     1.38317   113.84367    36.50575
   28    27 S   H    _HN3    25     1.01568   119.55316    -3.65254
   29    24 S   S    _SG2    35     1.82894   111.29574   -65.61212
   30    27 S   CT   _CA3    26     1.45276   123.22798   177.05324
   31    30 S   HC   HA31    27     1.09549   107.53764   -64.04297
   32    30 S   HC   HA32    28     1.09557   107.95927    52.39591
   33    29 S   CT   _C8_    36     1.84786    99.36613   175.12552
   34    33 S   HC   _H4_    37     1.09587   107.21113    41.23647
   35    30 S   CO3  _C3_    29     1.52956   114.07455   174.37879
   36    35 S   O2Z  _O31    30     1.26376   116.07399    -0.32865
   37    35 S   O2Z  _O32    31     1.26428   114.41267   179.72446
   38    33 S   CM   _C9_    38     1.51583   106.58968   -78.15430
   39    38 S   HC   _H15    39     1.08767   114.12816   -56.23997
   40    33 S   CT   _C7_    60     1.56496   113.34514   161.19116
   41    40 S   HC   _H3_    61     1.09424   107.87139    73.67967
   42    38 S   CMA  _C10    40     1.35186   126.99857   125.50418
   43    42 S   OM   _O38    41     1.25892   129.93690    -2.36654
   44    40 S   CT   _C5_    62     1.56080   115.73505   -45.54847
   45    44 S   HC   _H11    63     1.09621   108.54660    59.89775
   46    42 S   NE   _N4_    42     1.38662   122.09317   176.37150
   47    46 S   H    _H16    43     1.01581   112.68062  -179.02924
   48    44 S   CT   _C4_    64     1.53499   111.35744   175.76932
   49    48 S   HC   _H8_    65     1.09478   111.99155    66.21368
   50    48 S   HC   _H9_    66     1.09478   110.68078   -54.78018
   51    48 S   HC   _H10    67     1.09549   110.52045  -173.83674
   52    44 S   CT   _C6_    68     1.53234   113.79316   -59.73864
   53    52 S   HC   _H12    69     1.09459   111.82974   -64.80531
   54    52 S   HC   _H13    70     1.09575   110.29429   175.80493
   55    52 S   HC   _H14    71     1.09351   111.75838    56.61074
   56    46 S   CT   _C11    44     1.45333   130.23770    -6.01692
   57    56 S   HC   _H17    45     1.09654   107.52449   155.49935
   58    56 S   HC   _H18    46     1.09590   111.58945    39.71782
   59    56 S   CT   _C12    47     1.53530   111.87861   -86.05784
   60    59 S   HC   _H19    48     1.09721   109.60636   -53.67559
   61    59 S   HC   _H20    49     1.09648   109.01549  -170.07112
   62    59 S   CM   _C13    50     1.50305   112.55365    70.12429
   63    62 S   HC   _H21    51     1.08708   116.91117    65.13379
   64    62 S   CM   _C14    52     1.34143   123.21245  -110.05525
   65    64 S   HC   _H22    53     1.08897   118.64988    -3.49132
   66    64 S   CT1  _C15    54     1.50043   123.83105   170.63664
   67    66 S   HC   _H5_    55     1.09039   113.24906    -0.74703
   68    66 S   C    _C16    56     1.52996   106.69441  -124.82945
   69    68 S   O    _O33    57     1.23731   120.83541   -80.71114
   70    66 S   N    _N6_    72     1.45493   108.38768   119.67048
   71    70 S   H    _H24    73     1.01570   118.08117    32.98203
   72    68 S   N    _N5_    58     1.37356   119.56554    95.90684
   73    72 S   H    _H23    59     1.01490   113.54863  -174.53535
   74    70 S   C    _C17    74     1.38645   122.47840  -153.45805
   75    74 S   O    _O34    75     1.22950   124.51681     2.59601
   76    74 S   CT1  _C18    76     1.53031   112.59073  -175.15604
   77    76 S   HC   _H6_    77     1.09765   107.54157   -43.51880
   78    76 S   CTF  _C19    78     1.54741   111.25445    75.99857
   79    78 S   HC   _H25    79     1.09808   108.17407   -53.03907
   80    76 S   N    _N7_    88     1.45644   107.52040  -159.64548
   81    80 S   H    _H32    89     1.01476   117.98023   -39.78648
   82    78 S   CT   _C20    80     1.53270   113.10124    65.33091
   83    82 S   HC   _H26    81     1.09494   111.72293    63.01523
   84    82 S   HC   _H27    82     1.09557   110.45775  -177.24594
   85    82 S   HC   _H28    83     1.09448   111.31599   -58.11672
   86    78 S   CT   _C21    84     1.53125   111.57635  -170.33712
   87    86 S   HC   _H29    85     1.09462   111.74454   -66.87794
   88    86 S   HC   _H30    86     1.09494   110.89183    54.08326
   89    86 S   HC   _H31    87     1.09545   110.53181   173.34498
   90    80 S   C    _C22    90     1.38778   123.58195   138.90442
   91    90 S   O    _O35    91     1.22911   124.23884    -0.39614
   92    90 S   N    _N8_    92     1.38640   111.25540   179.06875
   93    92 S   H    _H33    93     1.01455   118.89760     3.19249
   94    92 S   CT1  _C23    94     1.46360   124.21647  -179.02261
   95    94 S   HC   _H7_    95     1.09805   107.31035   -25.27742
   96    94 S   CO3  _C27    96     1.54598   112.39752  -142.13062
   97    96 S   O2Z  _O37    97     1.26445   115.80300   -17.56346
   98    96 S   O2Z  _O36    98     1.26485   114.87799   162.17235
   99    94 S   CTF  _C24    99     1.54841   112.60767    94.44206
  100    99 S   HC   _H34   100     1.09838   108.24181   174.81904
  101    99 S   CT   _C25   101     1.53188   111.88815   -67.97529
  102   101 S   HC   _H35   102     1.09447   111.81264    67.67182
  103   101 S   HC   _H36   103     1.09489   110.92339   -53.46565
  104   101 S   HC   _H37   104     1.09556   110.47567  -172.66564
  105    99 S   CT   _C26   105     1.53325   113.07576    56.34855
  106   105 S   HC   _H38   106     1.09500   111.70137   -63.08559
  107   105 S   HC   _H39   107     1.09562   110.45880   177.20887
  108   105 S   HC   _H40   108     1.09428   111.38014    58.04266
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  10   4  17   7   7   3  12   9   8   4   8
   3   2   1   4   2   1   1   8   5   4   7   4   3   7   3   9
   4  10   6   6   3   8   3   1   1  10   4  16   7  12   9   8
   3   7   3   2   1   3   2   1   1   7   3  10   4  14   7   6
   2   1   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    72    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    68    72    73    40    41    44    45    48    52  
   38    39    42    72    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    56    72    40    41    44  
   42    43    46    40  
   41    44    45    48    49    50    51    52    53    54    55    42    66    68    69    72    73  
   44    45    48    52    68    72    73  
   43    46    47    56    57    58    59  
   46    47    56  
   45    48    49    50    51    52    53    54    55    68    72    73  
   48    49    50    51    52    53    54    55    72  
   47    56    57    58    59    60    61    62  
   56    57    58    59  
   49    50    51    52    53    54    55    72  
   50    51    52  
   51    52  
   52  
   53    54    55    72  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    64  
   58    59    60    61    62  
   59    60    61    62  
   60    61    62    63    64    65    66  
   61    62    63    64  
   62    63    64  
   63    64    65    66    67    68    70  
   64    65    66  
   65    66    67    68    69    72    70    71    74  
   66    67    68    70  
   67    68    69    72    73    70    71    74    75    76  
   68    69    72    70    71    74  
   69    72    73    70    71    74  
   72    73    70  
   71    74    75    76    77    78    80    72  
   74    75    76  
   73  
    0  
   75    76    77    78    79    82    86    80    81    90  
   76    77    78    80  
   77    78    79    82    83    84    85    86    87    88    89    80    81    90    91    92  
   78    79    82    86    80    81    90  
   79    82    83    84    85    86    87    88    89    80    81    90  
   82    83    84    85    86    87    88    89    80  
   81    90    91    92    93    94    82    86  
   90    91    92  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
   91    92    93    94    95    96    99  
   92    93    94  
   93    94    95    96    97    98    99   100   101   105  
   94    95    96    99  
   95    96    97    98    99   100   101   102   103   104   105   106   107   108  
   96    97    98    99   100   101   105  
   97    98    99   100   101   105  
   98    99  
   99  
  100   101   102   103   104   105   106   107   108  
  101   102   103   104   105   106   107   108  
  102   103   104   105   106   107   108  
  103   104   105  
  104   105  
  105  
  106   107   108  
  107   108  
  108  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   70   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   71   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   72   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   73   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   74   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   76   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.2500   0.1700  -0.488600   1.8100   1.6000   0.054801302  -1.445846770
   81   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.7500   0.1050   0.766100   1.9250   1.7000   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   92   3.2500   0.1700  -0.488600   1.8100   1.6000   0.054801302  -1.445846770
   93   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   99   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   415.000  1.382
   46    47   434.000  1.010
   46    56   382.000  1.448
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   317.000  1.510
   66    67   340.000  1.090
   66    68   317.000  1.522
   66    70   337.000  1.449
   68    69   570.000  1.229
   68    72   490.000  1.335
   72    73   434.000  1.010
   72    40   337.000  1.449
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    52   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   70    71   434.000  1.010
   70    74   490.000  1.335
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   268.000  1.529
   76    80   337.000  1.449
   78    79   340.000  1.090
   78    82   268.000  1.529
   78    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   80    81   434.000  1.010
   80    90   490.000  1.335
   90    91   570.000  1.229
   90    92   490.000  1.335
   92    93   434.000  1.010
   92    94   337.000  1.449
   94    95   340.000  1.090
   94    96   317.000  1.522
   94    99   268.000  1.529
   96    97   656.000  1.250
   96    98   656.000  1.250
   99   100   340.000  1.090
   99   101   268.000  1.529
   99   105   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    72    70.00000  110.72300
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    75.00000  114.40000
   42    38    39    40.00000  120.50800
   42    46    47    50.00000  121.48000
   42    46    56    50.00000  121.00000
   46    42    43   105.00000  113.92000
   46    56    57    35.00000  109.50000
   46    56    58    35.00000  109.50000
   46    56    59    80.00000  111.61500
   56    46    47    35.00000  112.50000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    62    63    35.00000  117.00000
   59    62    64    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    35.00000  120.00000
   62    64    66    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    70.00000  115.00700
   64    66    70    75.00000  110.78400
   66    64    65    35.00000  117.00000
   66    68    69    80.00000  120.40000
   66    68    72    70.00000  116.60000
   66    70    71    38.00000  118.40000
   66    70    74    50.00000  121.90000
   68    66    67    35.00000  109.50000
   68    72    73    35.00000  119.80000
   68    72    40    50.00000  121.90000
   72    68    69    80.00000  122.90000
   72    40    41    35.00000  109.50000
   72    40    44    70.00000  110.72300
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    72    73    38.00000  118.40000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    52    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    51    37.50000  110.70000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    55    37.50000  110.70000
   48    44    45    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    44    45    37.50000  110.70000
   52    44    48    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    63.00000  110.10000
   70    74    75    80.00000  122.90000
   70    74    76    70.00000  116.60000
   74    70    71    35.00000  119.80000
   74    76    77    35.00000  109.50000
   74    76    78    63.00000  111.10000
   74    76    80    63.00000  110.10000
   76    74    75    80.00000  120.40000
   76    78    79    37.50000  110.70000
   76    78    82    58.35000  112.70000
   76    78    86    58.35000  112.70000
   76    80    81    38.00000  118.40000
   76    80    90    50.00000  121.90000
   78    76    77    37.50000  110.70000
   78    82    83    37.50000  110.70000
   78    82    84    37.50000  110.70000
   78    82    85    37.50000  110.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   78    86    89    37.50000  110.70000
   82    78    79    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    78    79    37.50000  110.70000
   86    78    82    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   80    76    77    35.00000  109.50000
   80    76    78    80.00000  109.70000
   80    90    91    80.00000  122.90000
   80    90    92    90.00000  111.91700
   90    80    81    35.00000  119.80000
   90    92    93    35.00000  119.80000
   90    92    94    50.00000  121.90000
   92    90    91    80.00000  122.90000
   92    94    95    35.00000  109.50000
   92    94    96    63.00000  110.10000
   92    94    99    80.00000  109.70000
   94    92    93    38.00000  118.40000
   94    96    97    70.00000  117.00000
   94    96    98    70.00000  117.00000
   94    99   100    37.50000  110.70000
   94    99   101    58.35000  112.70000
   94    99   105    58.35000  112.70000
   96    94    95    35.00000  109.50000
   98    96    97    80.00000  126.00000
   99    94    95    37.50000  110.70000
   99    94    96    63.00000  111.10000
   99   101   102    37.50000  110.70000
   99   101   103    37.50000  110.70000
   99   101   104    37.50000  110.70000
   99   105   106    37.50000  110.70000
   99   105   107    37.50000  110.70000
   99   105   108    37.50000  110.70000
  101    99   100    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105    99   100    37.50000  110.70000
  105    99   101    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    72   0.56750  1.0 1.0
   29    33    40    72  -0.07550 -1.0 2.0
   29    33    40    72   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    48   0.56750  1.0 1.0
   33    40    44    48  -0.07550 -1.0 2.0
   33    40    44    48   0.20000  1.0 3.0
   33    40    44    52   0.56750  1.0 1.0
   33    40    44    52  -0.07550 -1.0 2.0
   33    40    44    52   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    72   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    72   0.21700  1.0 1.0
   38    33    40    72   0.68550 -1.0 2.0
   38    33    40    72  -0.27950  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    42    46    47   1.00000 -1.0 2.0
   38    42    46    56  -0.54700  1.0 1.0
   38    42    46    56   1.23000 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    56    57   0.00000  1.0 1.0
   42    46    56    58   0.00000  1.0 1.0
   42    46    56    59   0.25450  1.0 1.0
   42    46    56    59  -0.61700 -1.0 2.0
   42    46    56    59  -0.23550  1.0 3.0
   43    42    46    47   1.00000 -1.0 2.0
   43    42    46    56   1.00000 -1.0 2.0
   46    56    59    60   0.22950  1.0 3.0
   46    56    59    61   0.22950  1.0 3.0
   46    56    59    62   0.21700  1.0 1.0
   46    56    59    62   0.68550 -1.0 2.0
   46    56    59    62  -0.27950  1.0 3.0
   47    46    56    57   0.00000  1.0 1.0
   47    46    56    58   0.00000  1.0 1.0
   47    46    56    59   0.00000  1.0 1.0
   56    59    62    63   0.00000  1.0 1.0
   56    59    62    64   0.09850  1.0 1.0
   56    59    62    64   0.15250 -1.0 2.0
   56    59    62    64  -0.50650  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   59    62    64    65   7.00000 -1.0 2.0
   59    62    64    66   7.00000 -1.0 2.0
   60    59    62    63   0.33100  1.0 3.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.33100  1.0 3.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68  -0.51250  1.0 1.0
   62    64    66    68  -0.88800 -1.0 2.0
   62    64    66    68   0.08850  1.0 3.0
   62    64    66    70   0.62150  1.0 1.0
   62    64    66    70   0.42850 -1.0 2.0
   62    64    66    70  -0.68200  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66    68    69   0.30150 -1.0 2.0
   64    66    68    72   0.00000  1.0 1.0
   64    66    70    71   0.00000  1.0 1.0
   64    66    70    74  -0.19250  1.0 1.0
   64    66    70    74  -0.00500 -1.0 2.0
   64    66    70    74   0.17000  1.0 3.0
   65    64    66    67   0.33100  1.0 3.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    70   0.00000  1.0 1.0
   66    68    72    73   2.45000 -1.0 2.0
   66    68    72    40   1.15000  1.0 1.0
   66    68    72    40   3.04450 -1.0 2.0
   66    70    74    75   3.04450 -1.0 2.0
   66    70    74    76   1.15000  1.0 1.0
   66    70    74    76   3.04450 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    72   0.00000  1.0 1.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    74   0.00000  1.0 1.0
   68    66    70    71   0.00000  1.0 1.0
   68    66    70    74  -0.29800  1.0 1.0
   68    66    70    74   0.13950 -1.0 2.0
   68    66    70    74  -2.45650  1.0 3.0
   68    72    40    33  -0.43950  1.0 1.0
   68    72    40    33  -0.08100 -1.0 2.0
   68    72    40    33   0.03350  1.0 3.0
   68    72    40    41   0.00000  1.0 1.0
   68    72    40    44  -0.43950  1.0 1.0
   68    72    40    44  -0.08100 -1.0 2.0
   68    72    40    44   0.03350  1.0 3.0
   69    68    72    73   2.45000 -1.0 2.0
   69    68    72    40   3.04450 -1.0 2.0
   72    40    44    45   0.15000  1.0 3.0
   72    40    44    48   0.43900  1.0 1.0
   72    40    44    48   0.49100 -1.0 2.0
   72    40    44    48   0.28400  1.0 3.0
   72    40    44    52   0.43900  1.0 1.0
   72    40    44    52   0.49100 -1.0 2.0
   72    40    44    52   0.28400  1.0 3.0
   73    72    40    33   0.00000  1.0 1.0
   73    72    40    41   0.00000  1.0 1.0
   73    72    40    44   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    50   0.15000  1.0 3.0
   40    44    48    51   0.15000  1.0 3.0
   40    44    52    53   0.15000  1.0 3.0
   40    44    52    54   0.15000  1.0 3.0
   40    44    52    55   0.15000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    52   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    54   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   48    44    52    53   0.15000  1.0 3.0
   48    44    52    54   0.15000  1.0 3.0
   48    44    52    55   0.15000  1.0 3.0
   52    44    48    49   0.15000  1.0 3.0
   52    44    48    50   0.15000  1.0 3.0
   52    44    48    51   0.15000  1.0 3.0
   70    66    68    69   0.00000  1.0 1.0
   70    66    68    72   0.37150  1.0 1.0
   70    66    68    72   1.25400 -1.0 2.0
   70    66    68    72  -0.40250  1.0 3.0
   70    74    76    77   0.00000  1.0 1.0
   70    74    76    78   0.93250  1.0 1.0
   70    74    76    78   0.04450 -1.0 2.0
   70    74    76    78   0.17550  1.0 3.0
   70    74    76    80   0.37150  1.0 1.0
   70    74    76    80   1.25400 -1.0 2.0
   70    74    76    80  -0.40250  1.0 3.0
   71    70    74    75   2.45000 -1.0 2.0
   71    70    74    76   2.45000 -1.0 2.0
   74    76    78    79  -0.03800  1.0 3.0
   74    76    78    82  -0.45800  1.0 1.0
   74    76    78    82   0.20550 -1.0 2.0
   74    76    78    86  -0.45800  1.0 1.0
   74    76    78    86   0.20550 -1.0 2.0
   74    76    80    81   0.00000  1.0 1.0
   74    76    80    90  -0.29800  1.0 1.0
   74    76    80    90   0.13950 -1.0 2.0
   74    76    80    90  -2.45650  1.0 3.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    80   0.00000  1.0 1.0
   76    78    82    83   0.15000  1.0 3.0
   76    78    82    84   0.15000  1.0 3.0
   76    78    82    85   0.15000  1.0 3.0
   76    78    86    87   0.15000  1.0 3.0
   76    78    86    88   0.15000  1.0 3.0
   76    78    86    89   0.15000  1.0 3.0
   76    80    90    91   3.04450 -1.0 2.0
   76    80    90    92   4.56800  1.0 1.0
   76    80    90    92   0.31650 -1.0 2.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    82   0.15000  1.0 3.0
   77    76    78    86   0.15000  1.0 3.0
   77    76    80    81   0.00000  1.0 1.0
   77    76    80    90   0.00000  1.0 1.0
   78    76    80    81   0.00000  1.0 1.0
   78    76    80    90   0.25950  1.0 1.0
   78    76    80    90   0.43850 -1.0 2.0
   78    76    80    90   2.61650  1.0 3.0
   79    78    82    83   0.15000  1.0 3.0
   79    78    82    84   0.15000  1.0 3.0
   79    78    82    85   0.15000  1.0 3.0
   79    78    86    87   0.15000  1.0 3.0
   79    78    86    88   0.15000  1.0 3.0
   79    78    86    89   0.15000  1.0 3.0
   82    78    86    87   0.15000  1.0 3.0
   82    78    86    88   0.15000  1.0 3.0
   82    78    86    89   0.15000  1.0 3.0
   86    78    82    83   0.15000  1.0 3.0
   86    78    82    84   0.15000  1.0 3.0
   86    78    82    85   0.15000  1.0 3.0
   80    76    78    79   0.23200  1.0 3.0
   80    76    78    82   0.26400  1.0 1.0
   80    76    78    82   0.16150 -1.0 2.0
   80    76    78    82   0.25850  1.0 3.0
   80    76    78    86   0.26400  1.0 1.0
   80    76    78    86   0.16150 -1.0 2.0
   80    76    78    86   0.25850  1.0 3.0
   80    90    92    93   2.56700 -1.0 2.0
   80    90    92    94   4.56800  1.0 1.0
   80    90    92    94   0.31650 -1.0 2.0
   81    80    90    91   2.45000 -1.0 2.0
   81    80    90    92   2.56700 -1.0 2.0
   90    92    94    95   0.00000  1.0 1.0
   90    92    94    96  -0.29800  1.0 1.0
   90    92    94    96   0.13950 -1.0 2.0
   90    92    94    96  -2.45650  1.0 3.0
   90    92    94    99   0.25950  1.0 1.0
   90    92    94    99   0.43850 -1.0 2.0
   90    92    94    99   2.61650  1.0 3.0
   91    90    92    93   2.45000 -1.0 2.0
   91    90    92    94   3.04450 -1.0 2.0
   92    94    96    97   0.00000  1.0 1.0
   92    94    96    98   0.00000  1.0 1.0
   92    94    99   100   0.23200  1.0 3.0
   92    94    99   101   0.26400  1.0 1.0
   92    94    99   101   0.16150 -1.0 2.0
   92    94    99   101   0.25850  1.0 3.0
   92    94    99   105   0.26400  1.0 1.0
   92    94    99   105   0.16150 -1.0 2.0
   92    94    99   105   0.25850  1.0 3.0
   93    92    94    95   0.00000  1.0 1.0
   93    92    94    96   0.00000  1.0 1.0
   93    92    94    99   0.00000  1.0 1.0
   94    99   101   102   0.15000  1.0 3.0
   94    99   101   103   0.15000  1.0 3.0
   94    99   101   104   0.15000  1.0 3.0
   94    99   105   106   0.15000  1.0 3.0
   94    99   105   107   0.15000  1.0 3.0
   94    99   105   108   0.15000  1.0 3.0
   95    94    96    97   0.00000  1.0 1.0
   95    94    96    98   0.00000  1.0 1.0
   95    94    99   100   0.15000  1.0 3.0
   95    94    99   101   0.15000  1.0 3.0
   95    94    99   105   0.15000  1.0 3.0
   96    94    99   100  -0.03800  1.0 3.0
   96    94    99   101  -0.45800  1.0 1.0
   96    94    99   101   0.20550 -1.0 2.0
   96    94    99   105  -0.45800  1.0 1.0
   96    94    99   105   0.20550 -1.0 2.0
   99    94    96    97   0.00000  1.0 1.0
   99    94    96    98   0.00000  1.0 1.0
  100    99   101   102   0.15000  1.0 3.0
  100    99   101   103   0.15000  1.0 3.0
  100    99   101   104   0.15000  1.0 3.0
  100    99   105   106   0.15000  1.0 3.0
  100    99   105   107   0.15000  1.0 3.0
  100    99   105   108   0.15000  1.0 3.0
  101    99   105   106   0.15000  1.0 3.0
  101    99   105   107   0.15000  1.0 3.0
  101    99   105   108   0.15000  1.0 3.0
  105    99   101   102   0.15000  1.0 3.0
  105    99   101   103   0.15000  1.0 3.0
  105    99   101   104   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   47    42    46    56   1.00000 -1.0 2.0
   59    63    62    64   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   66    72    68    69  10.50000 -1.0 2.0
   73    68    72    40   1.00000 -1.0 2.0
   71    74    70    66   1.00000 -1.0 2.0
   70    76    74    75  10.50000 -1.0 2.0
   81    90    80    76   1.00000 -1.0 2.0
   80    92    90    91  10.50000 -1.0 2.0
   93    90    92    94   1.00000 -1.0 2.0
   97    94    96    98  10.50000 -1.0 2.0
END
