* LIGAND DATABASE FILE (OPLS2005)
*
001     114   115    204    315     601
    1     0 S   NP   _N1_     1    28.81147    94.84220   -25.31370
    2     1 S   H    _HN1     2     1.02951    86.29701     0.97116
    3     1 S   H    _H1_     3     1.02828    20.87676   175.44194
    4     1 S   H    _H2_     4     1.02788   114.01443  -107.50923
    5     1 S   CT   _CA1     5     1.50122   121.83424   112.73422
    6     5 S   HC   _HA1     6     1.09575   105.17827    79.04302
    7     5 S   CO3  _C1_     7     1.53784   112.48334   -41.16084
    8     7 S   O2Z  _O11     8     1.26375   115.00239   -41.87963
    9     7 S   O2Z  _O12     9     1.26244   114.94677   137.21224
   10     5 S   CT   _CB1    10     1.53075   107.41038  -162.98464
   11    10 S   HC   HB11    11     1.09836   109.33613   -49.66915
   12    10 S   HC   HB12    12     1.09813   110.46139    66.93185
   13    10 S   CT   _CG1    13     1.52995   112.62593  -170.64312
   14    13 S   HC   HG11    14     1.09578   110.65051   -66.53478
   15    13 S   HC   HG12    15     1.09673   109.76019    52.69971
   16    13 S   C    _CD1    16     1.51807   112.18269   173.13561
   17    16 S   O    _OE1    17     1.22736   123.27292     8.36236
   18    16 S   N    _N2_    18     1.38657   111.70350  -171.67836
   19    18 S   H    _HN2    19     1.01577   118.92406     1.45992
   20    18 S   CT1  _CA2    20     1.46191   123.37675   176.92489
   21    20 S   HC   _HA2    21     1.09738   109.36734     3.86133
   22    20 S   C    _C2_    22     1.53586   108.59887  -111.60576
   23    22 S   O    _O2_    23     1.23065   122.26580  -147.70721
   24    20 S   CT   _CB2    32     1.53353   111.63657   125.92242
   25    24 S   HC   HB21    33     1.09478   109.93472    56.30907
   26    24 S   HC   HB22    34     1.09512   110.03575   175.31701
   27    22 S   N    _N3_    24     1.38325   113.73772    39.71547
   28    27 S   H    _HN3    25     1.01577   119.60189    -3.21291
   29    24 S   S    _SG2    35     1.82739   111.49227   -64.93295
   30    27 S   CT   _CA3    26     1.45290   123.24116   177.18701
   31    30 S   HC   HA31    27     1.09550   107.50385   -64.80774
   32    30 S   HC   HA32    28     1.09558   107.99580    51.63846
   33    29 S   CT   _C20    36     1.85252    99.85103  -174.47504
   34    33 S   HC   _H4_    37     1.09956   106.44128    41.02812
   35    30 S   CO3  _C3_    29     1.52972   114.06480   173.64035
   36    35 S   O2Z  _O31    30     1.26380   116.06760    -0.66323
   37    35 S   O2Z  _O32    31     1.26428   114.41462   179.39964
   38    33 S   CT   _C21    38     1.53321   110.28233   -75.61479
   39    38 S   HC   _H5_    39     1.09553   110.53415    58.79322
   40    38 S   CO4  _C22    40     1.51607   109.79630   177.51069
   41    40 S   O    _O34    41     1.23196   120.90541  -145.08493
   42    38 S   OH   _O35   113     1.41789   112.65211   -63.27462
   43    42 S   HO   _H28   114     0.97284   107.67167   172.66859
   44    40 S   CM   _C17    42     1.49850   118.78973    38.52885
   45    44 S   CM   _C18    43     1.34223   118.51834    -8.48892
   46    45 S   HC   _H27    44     1.08620   119.51566   174.81722
   47    44 S   N    _N4_    76     1.38234   114.90316   169.91662
   48    47 S   H    _H26    77     1.01740   113.59965    -0.70332
   49    33 S   CT   _C19    45     1.55838   112.54697   158.52959
   50    47 S   C    _C16    78     1.38730   128.55109   179.52895
   51    50 S   O    _O33    79     1.22772   126.58163     0.65879
   52    49 S   CM   _C23    46     1.52540   109.86202   -65.35585
   53    52 S   HC   _H29    47     1.09034   114.88837    79.20248
   54    49 S   OH   _O39    74     1.43303   110.41576    52.83314
   55    54 S   HO   _H41    75     0.97266   108.29385  -175.43923
   56    50 S   CM   _C14    80     1.50542   112.98747  -178.80531
   57    52 S   CM   _C24    48     1.34384   127.07144   -99.64324
   58    57 S   HC   _H30    49     1.08672   120.34710     0.13270
   59    56 S   CM   _C13    81     1.34754   115.59035  -147.69913
   60    59 S   HC   _H22    82     1.08971   119.92852     0.05935
   61    56 S   CT   _C15   109     1.50144   118.79819    35.89372
   62    61 S   HC   _H23   110     1.09455   110.63121   -84.54349
   63    61 S   HC   _H24   111     1.09551   110.68706    35.89810
   64    61 S   HC   _H25   112     1.09441   112.33372   154.49564
   65    57 S   CM   _C25    50     1.44685   122.94455   179.53945
   66    65 S   HC   _H31    51     1.08791   117.08224     0.06561
   67    59 S   CM   _C11    83     1.45911   126.64874  -179.29891
   68    65 S   CM   _C26    52     1.34172   122.96104  -179.94766
   69    68 S   HC   _H32    53     1.08790   119.95684    -0.01978
   70    67 S   CM   _C10    84     1.34796   120.70579   -59.48100
   71    70 S   HC   _H18    85     1.09107   117.96543    -0.00000
   72    67 S   CT   _C12   105     1.50324   113.45686   123.09398
   73    72 S   HC   _H19   106     1.09607   110.57009    53.95132
   74    72 S   HC   _H20   107     1.09171   113.58075   173.76923
   75    72 S   HC   _H21   108     1.09567   110.20313   -65.65903
   76    68 S   CM   _C27    54     1.44700   122.98154  -179.97202
   77    76 S   HC   _H33    55     1.08756   116.87304    -0.04846
   78    70 S   CT   _C8_    86     1.51191   128.05079   179.95154
   79    78 S   HC   _H3_    87     1.09398   111.25923    -5.04022
   80    76 S   CM   _C28    56     1.34050   122.73915   179.91844
   81    80 S   HC   _H34    57     1.08487   121.45503     0.00000
   82    78 S   CT   _C9_    88     1.53237   108.98627  -122.48810
   83    82 S   HC   _H15    89     1.09602   111.62055   -62.19302
   84    82 S   HC   _H16    90     1.09590   110.97306    58.26046
   85    82 S   HC   _H17    91     1.09543   110.68210   177.70800
   86    78 S   CT   _C7_    92     1.54121   111.58317   115.81184
   87    86 S   HC   _H13    93     1.09779   108.86717   173.76285
   88    86 S   HC   _H14    94     1.09802   110.08924    57.30236
   89    80 S   C    _C29    58     1.48830   120.03292  -180.00000
   90    89 S   O    _O36    59     1.22620   122.66148    -0.44235
   91    86 S   CT   _C6_    95     1.53328   113.02099   -65.35611
   92    91 S   HC   _H11    96     1.09607   110.15686    62.36826
   93    91 S   HC   _H12    97     1.09679   109.52515   -55.33556
   94    89 S   N    _N5_    60     1.38316   112.06084   179.63631
   95    94 S   H    _H35    61     1.01571   119.86098    -0.33804
   96    91 S   CT   _C5_    98     1.52914   111.22015  -176.52904
   97    96 S   HC   _H9_    99     1.09621   109.89064    58.95073
   98    96 S   HC   _H10   100     1.09622   109.84902   -58.80351
   99    94 S   CT1  _C30    62     1.44279   121.92921  -179.23230
  100    99 S   HC   _H36    63     1.09353   112.60523   -30.55384
  101    96 S   CT   _C4_   101     1.52041   111.47631  -179.93147
  102   101 S   HC   _H6_   102     1.09469   111.00272    60.28528
  103   101 S   HC   _H7_   103     1.09448   110.26240  -179.97202
  104   101 S   HC   _H8_   104     1.09468   110.99702   -60.22953
  105    99 S   CO4  _C31    64     1.51024   110.77080  -154.39089
  106   105 S   O    _O37    65     1.22388   124.77168    50.47903
  107   105 S   CT   _C32    66     1.50867   111.25663  -131.53567
  108   107 S   HC   _H37    67     1.09281   110.92022   140.36400
  109   107 S   HC   _H38    68     1.09426   108.59081   -98.69414
  110   107 S   CT   _C33    69     1.52913   104.93807    19.91734
  111   110 S   HC   _H39    70     1.09281   111.41281  -137.76418
  112   110 S   HC   _H40    71     1.09444   110.57136    99.61174
  113    99 S   CO4  _C34    72     1.51309   110.32622    92.29653
  114   113 S   O    _O38    73     1.22436   124.82257   -56.80041
  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  10   5   4   3
  16   8   2   1   1  11   6  10   4   3   1  10  10   4   7   3
   7   9   3   8   4   2   1   9   6   3  13   4   4   2   1   1
   6   3  10   6   3  15   5   4   2   1   1   6   3  12   8   6
   3   7   3   2   1   9   5   4   7   3   9   5   4   9   4   6
   5   4  11   6   3   2   1   1   9   5   7   5   4   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    49    52    54    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    46    49    52    53    57    54    55    42    43  
   38    39    40    45    49    52    54    42  
   36    37  
   37  
    0  
   39    40    41    44    45    49    52    54    47    42    43  
   40    41    44    49    42    43  
   41    44    45    46    49    47    48    50    42    43  
   44    45    47    42  
   43    44    49  
    0  
   45    46    49    52    54    47    48    50    51    56  
   46    49    52    53    57    54    55    47    48    50  
   49    52    54    47  
   48    50    51    56    59    61    49  
   50    51    56  
   52    53    57    58    65    54    55  
   51    56    59    60    67    61    62    63    64  
   56    59    61  
   53    57    58    65    66    68    54    55  
   57    58    65    54  
   55    57  
    0  
   59    60    67    70    72    61    62    63    64  
   58    65    66    68    69    76  
   65    66    68  
   60    67    70    71    78    72    73    74    75    61    62    63    64  
   67    70    72    61  
   62    63    64    67  
   63    64  
   64  
    0  
   66    68    69    76    77    80  
   68    69    76  
   70    71    78    79    82    86    72    73    74    75  
   69    76    77    80    81    89  
   76    77    80  
   71    78    79    82    83    84    85    86    87    88    91    72    73    74    75  
   78    79    82    86    72  
   73    74    75    78  
   74    75  
   75  
    0  
   77    80    81    89    90    94  
   80    81    89  
   79    82    83    84    85    86    87    88    91    92    93    96  
   82    83    84    85    86    87    88    91  
   81    89    90    94    95    99  
   89    90    94  
   83    84    85    86    87    88    91  
   84    85    86  
   85    86  
   86  
   87    88    91    92    93    96    97    98   101  
   88    91    92    93    96  
   91    92    93    96  
   90    94    95    99   100   105   113  
   94    95    99  
   92    93    96    97    98   101   102   103   104  
   93    96    97    98   101  
   96    97    98   101  
   95    99   100   105   106   107   110   113   114  
   99   100   105   113  
   97    98   101   102   103   104  
   98   101   102   103   104  
  101   102   103   104  
  100   105   106   107   108   109   110   111   112   113   114  
  105   106   107   110   113   114  
  102   103   104  
  103   104  
  104  
    0  
  106   107   108   109   110   111   112   113   114  
  107   108   109   110   113  
  108   109   110   111   112   113   114  
  109   110   111   112   113  
  110   111   112   113  
  111   112   113   114  
  112   113   114  
  113   114  
  114  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   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   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   95   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  107   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  114   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    49   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    44   320.000  1.462
   44    45   549.000  1.340
   44    47   400.000  1.384
   45    46   340.000  1.080
   45    49   317.000  1.510
   49    52   317.000  1.510
   49    54   320.000  1.410
   52    53   340.000  1.080
   52    57   549.000  1.340
   57    58   340.000  1.080
   57    65   380.000  1.444
   65    66   340.000  1.080
   65    68   549.000  1.340
   68    69   340.000  1.080
   68    76   380.000  1.444
   76    77   340.000  1.080
   76    80   549.000  1.340
   80    81   340.000  1.080
   80    89   410.000  1.444
   89    90   570.000  1.229
   89    94   490.000  1.335
   94    95   434.000  1.010
   94    99   337.000  1.449
   99   100   340.000  1.090
   99   105   255.000  1.522
   99   113   255.000  1.522
  105   106   570.000  1.229
  105   107   317.000  1.522
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   268.000  1.529
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   317.000  1.522
  113   114   570.000  1.229
   54    55   553.000  0.945
   47    48   434.000  1.010
   47    50   490.000  1.335
   50    51   570.000  1.229
   50    56   410.000  1.444
   56    59   549.000  1.340
   56    61   317.000  1.510
   59    60   340.000  1.080
   59    67   380.000  1.444
   67    70   549.000  1.340
   67    72   317.000  1.510
   70    71   340.000  1.080
   70    78   317.000  1.510
   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    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    49    45    70.00000  112.02700
   33    49    52    70.00000  112.02700
   33    49    54    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    44    65.00000  118.62400
   38    42    43    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    44    45    65.00000  118.96000
   40    44    47    70.00000  117.92000
   44    40    41    80.00000  123.72100
   44    45    46    35.00000  120.00000
   44    45    49    70.00000  124.00000
   44    47    48    45.00000  117.55000
   44    47    50    70.00000  120.89900
   45    49    52    70.00000  110.12100
   45    49    54    90.00000  110.39200
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    45    46    35.00000  117.00000
   49    52    53    35.00000  117.00000
   49    52    57    70.00000  124.00000
   49    54    55    55.00000  108.50000
   52    57    58    35.00000  120.00000
   52    57    65    70.00000  123.01800
   57    52    53    35.00000  120.00000
   57    65    66    35.00000  120.00000
   57    65    68    70.00000  123.01800
   65    57    58    35.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    76    70.00000  123.01800
   68    65    66    35.00000  120.00000
   68    76    77    35.00000  120.00000
   68    76    80    70.00000  123.01800
   76    68    69    35.00000  120.00000
   76    80    81    35.00000  120.00000
   76    80    89    70.00000  118.70000
   80    76    77    35.00000  120.00000
   80    89    90    80.00000  125.30000
   80    89    94    80.00000  111.56200
   89    80    81    35.00000  119.70000
   89    94    95    35.00000  119.80000
   89    94    99    50.00000  121.90000
   94    89    90    80.00000  122.90000
   94    99   100    35.00000  109.50000
   94    99   105    80.00000  110.29000
   94    99   113    80.00000  110.29000
   99    94    95    38.00000  118.40000
   99   105   106    75.00000  123.42600
   99   105   107    65.00000  117.09000
   99   113   110    65.00000  117.09000
   99   113   114    75.00000  123.42600
  105    99   100    45.00000  110.09800
  105   107   108    35.00000  109.50000
  105   107   109    35.00000  109.50000
  105   107   110    63.00000  111.10000
  107   105   106    80.00000  120.40000
  107   110   111    37.50000  110.70000
  107   110   112    37.50000  110.70000
  107   110   113    63.00000  111.10000
  109   107   108    33.00000  107.80000
  110   107   108    37.50000  110.70000
  110   107   109    37.50000  110.70000
  110   113   114    80.00000  120.40000
  112   110   111    33.00000  107.80000
  113    99   100    45.00000  110.09800
  113    99   105    65.00000  112.16000
  113   110   111    35.00000  109.50000
  113   110   112    35.00000  109.50000
   54    49    52    90.00000  110.39200
   47    44    45    75.00000  120.83300
   47    50    51    80.00000  122.90000
   47    50    56    80.00000  111.56200
   50    47    48    35.00000  119.80000
   50    56    59    70.00000  118.70000
   50    56    61    70.00000  119.70000
   56    50    51    80.00000  125.30000
   56    59    60    35.00000  120.00000
   56    59    67    70.00000  123.01800
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   59    67    70    70.00000  123.01800
   59    67    72    70.00000  124.00000
   67    59    60    35.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    78    70.00000  124.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   70    78    79    35.00000  109.50000
   70    78    82    70.00000  112.02700
   70    78    86    70.00000  112.02700
   78    70    71    35.00000  117.00000
   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    91    58.35000  112.70000
   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
   86    91    92    37.50000  110.70000
   86    91    93    37.50000  110.70000
   86    91    96    58.35000  112.70000
   88    86    87    33.00000  107.80000
   91    86    87    37.50000  110.70000
   91    86    88    37.50000  110.70000
   91    96    97    37.50000  110.70000
   91    96    98    37.50000  110.70000
   91    96   101    58.35000  112.70000
   93    91    92    33.00000  107.80000
   96    91    92    37.50000  110.70000
   96    91    93    37.50000  110.70000
   96   101   102    37.50000  110.70000
   96   101   103    37.50000  110.70000
   96   101   104    37.50000  110.70000
   98    96    97    33.00000  107.80000
  101    96    97    37.50000  110.70000
  101    96    98    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
   72    67    70    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   61    56    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  109.61100
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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.15000  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   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    49    45   0.56750  1.0 1.0
   29    33    49    45  -0.07550 -1.0 2.0
   29    33    49    45   0.20000  1.0 3.0
   29    33    49    52   0.56750  1.0 1.0
   29    33    49    52  -0.07550 -1.0 2.0
   29    33    49    52   0.20000  1.0 3.0
   29    33    49    54   0.56750  1.0 1.0
   29    33    49    54  -0.07550 -1.0 2.0
   29    33    49    54   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    44   0.65300  1.0 1.0
   33    38    40    44  -0.03850 -1.0 2.0
   33    38    40    44   0.33900  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    49    52    53   0.00000  1.0 1.0
   33    49    52    57   0.09850  1.0 1.0
   33    49    52    57   0.15250 -1.0 2.0
   33    49    52    57  -0.50650  1.0 3.0
   33    49    54    55  -0.11600  1.0 1.0
   33    49    54    55  -0.09450 -1.0 2.0
   33    49    54    55   0.21250  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   0.23400  1.0 3.0
   34    33    49    45   0.15000  1.0 3.0
   34    33    49    52   0.15000  1.0 3.0
   34    33    49    54   0.23400  1.0 3.0
   38    33    49    45   0.34400  1.0 1.0
   38    33    49    45   0.09450 -1.0 2.0
   38    33    49    45   0.11100  1.0 3.0
   38    33    49    52   0.34400  1.0 1.0
   38    33    49    52   0.09450 -1.0 2.0
   38    33    49    52   0.11100  1.0 3.0
   38    33    49    54   0.86500  1.0 1.0
   38    33    49    54  -0.17500 -1.0 2.0
   38    33    49    54   0.20800  1.0 3.0
   38    40   -44    45  -0.33500  1.0 1.0
   38    40   -44    45   1.06600 -1.0 2.0
   38    40   -44    45  -0.14000  1.0 3.0
   38    40    44    47   1.50000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43   0.91850  1.0 1.0
   40    38    42    43   0.57950  1.0 3.0
   40    44    45    46   7.00000 -1.0 2.0
   40    44    45    49   7.00000 -1.0 2.0
   40    44    47    48   1.00000 -1.0 2.0
   40    44    47    50  -0.56400  1.0 1.0
   40    44    47    50   0.77500 -1.0 2.0
   40    44    47    50   0.18700  1.0 3.0
   41    40    44    45   1.00000 -1.0 2.0
   41    40    44    47  -0.52200  1.0 1.0
   41    40    44    47   0.82950 -1.0 2.0
   44    45   -49    33   0.09850  1.0 1.0
   44    45   -49    33   0.15250 -1.0 2.0
   44    45   -49    33  -0.50650  1.0 3.0
   44    45    49    52  -0.28300  1.0 1.0
   44    45    49    52   0.26700 -1.0 2.0
   44    45    49    52  -0.63300  1.0 3.0
   44    45    49    54   0.67800  1.0 1.0
   44    45    49    54   0.47050 -1.0 2.0
   44    45    49    54  -0.62500  1.0 3.0
   44    47    50    51   2.67200 -1.0 2.0
   44    47    50    56   2.45000 -1.0 2.0
   45    44    47    48   0.78350 -1.0 2.0
   45    44    47    50  -0.18900  1.0 1.0
   45    44    47    50   1.70900 -1.0 2.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    57  -0.28300  1.0 1.0
   45    49    52    57   0.26700 -1.0 2.0
   45    49    52    57  -0.63300  1.0 3.0
   45    49    54    55  -0.07800  1.0 1.0
   45    49    54    55  -0.21500 -1.0 2.0
   45    49    54    55  -0.03150  1.0 3.0
   46    45    49    33   0.00000  1.0 1.0
   46    45    49    52   0.00000  1.0 1.0
   46    45    49    54   0.00000  1.0 1.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40  -0.95700  1.0 1.0
   49    33   -38    40  -0.18200 -1.0 2.0
   49    33   -38    40   0.29450  1.0 3.0
   49    33    38    42   0.86500  1.0 1.0
   49    33    38    42  -0.17500 -1.0 2.0
   49    33    38    42   0.20800  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    65   7.00000 -1.0 2.0
   52    49    54    55  -0.07800  1.0 1.0
   52    49    54    55  -0.21500 -1.0 2.0
   52    49    54    55  -0.03150  1.0 3.0
   52    57    65    66  -0.18600  1.0 3.0
   52    57    65    68   0.28850  1.0 1.0
   52    57    65    68   2.61350 -1.0 2.0
   52    57    65    68   0.78400  1.0 3.0
   53    52    57    58   7.00000 -1.0 2.0
   53    52    57    65   7.00000 -1.0 2.0
   57    65    68    69   7.00000 -1.0 2.0
   57    65    68    76   7.00000 -1.0 2.0
   58    57    65    66   0.00000  1.0 1.0
   58    57    65    68  -0.18600  1.0 3.0
   65    68    76    77  -0.18600  1.0 3.0
   65    68    76    80   0.28850  1.0 1.0
   65    68    76    80   2.61350 -1.0 2.0
   65    68    76    80   0.78400  1.0 3.0
   66    65    68    69   7.00000 -1.0 2.0
   66    65    68    76   7.00000 -1.0 2.0
   68    76    80    81   7.00000 -1.0 2.0
   68    76    80    89   7.00000 -1.0 2.0
   69    68    76    77   0.00000  1.0 1.0
   69    68    76    80  -0.18600  1.0 3.0
   76    80    89    90   1.00000 -1.0 2.0
   76    80    89    94   0.49500  1.0 1.0
   76    80    89    94   1.31600 -1.0 2.0
   76    80    89    94  -0.02300  1.0 3.0
   77    76    80    81   7.00000 -1.0 2.0
   77    76    80    89   7.00000 -1.0 2.0
   80    89    94    95   2.56700 -1.0 2.0
   80    89    94    99   1.49850  1.0 1.0
   80    89    94    99   1.53950 -1.0 2.0
   81    80    89    90   0.00000  1.0 1.0
   81    80    89    94   0.65100 -1.0 2.0
   89    94    99   100   0.00000  1.0 1.0
   89    94    99   105  -0.29800  1.0 1.0
   89    94    99   105   0.13950 -1.0 2.0
   89    94    99   105  -2.45650  1.0 3.0
   89    94    99   113  -0.29800  1.0 1.0
   89    94    99   113   0.13950 -1.0 2.0
   89    94    99   113  -2.45650  1.0 3.0
   90    89    94    95   2.45000 -1.0 2.0
   90    89    94    99   3.04450 -1.0 2.0
   94    99   105   106   0.00000  1.0 1.0
   94    99   105   107   0.65300  1.0 1.0
   94    99   105   107  -0.03850 -1.0 2.0
   94    99   105   107   0.33900  1.0 3.0
   94    99   113   110   0.65300  1.0 1.0
   94    99   113   110  -0.03850 -1.0 2.0
   94    99   113   110   0.33900  1.0 3.0
   94    99   113   114   0.00000  1.0 1.0
   95    94    99   100   0.00000  1.0 1.0
   95    94    99   105   0.00000  1.0 1.0
   95    94    99   113   0.00000  1.0 1.0
   99   105   107   108   0.00000  1.0 1.0
   99   105   107   109   0.00000  1.0 1.0
   99   105  -107   110   0.60050  1.0 1.0
   99   105  -107   110   0.05600 -1.0 2.0
   99   105  -107   110   0.26150  1.0 3.0
  100    99   105   106   0.00000  1.0 1.0
  100    99   105   107   0.00000  1.0 1.0
  100    99   113   110   0.00000  1.0 1.0
  100    99   113   114   0.00000  1.0 1.0
  105    99  -113   110   0.65300  1.0 1.0
  105    99  -113   110  -0.03850 -1.0 2.0
  105    99  -113   110   0.33900  1.0 3.0
  105    99   113   114   0.30150 -1.0 2.0
  105   107   110   111  -0.11250  1.0 3.0
  105   107   110   112  -0.11250  1.0 3.0
  105   107  -110   113   0.11950  1.0 1.0
  105   107  -110   113   0.20300 -1.0 2.0
  105   107  -110   113  -0.70800  1.0 3.0
  106   105   107   108   0.00000  1.0 1.0
  106   105   107   109   0.00000  1.0 1.0
  106   105   107   110   0.30150 -1.0 2.0
  107   110  -113    99   0.60050  1.0 1.0
  107   110  -113    99   0.05600 -1.0 2.0
  107   110  -113    99   0.26150  1.0 3.0
  107   110   113   114   0.30150 -1.0 2.0
  108   107   110   111   0.15000  1.0 3.0
  108   107   110   112   0.15000  1.0 3.0
  108   107   110   113  -0.11250  1.0 3.0
  109   107   110   111   0.15000  1.0 3.0
  109   107   110   112   0.15000  1.0 3.0
  109   107   110   113  -0.11250  1.0 3.0
  111   110   113    99   0.00000  1.0 1.0
  111   110   113   114   0.00000  1.0 1.0
  112   110   113    99   0.00000  1.0 1.0
  112   110   113   114   0.00000  1.0 1.0
  113    99   105   106   0.30150 -1.0 2.0
  113    99  -105   107   0.65300  1.0 1.0
  113    99  -105   107  -0.03850 -1.0 2.0
  113    99  -105   107   0.33900  1.0 3.0
   54    49    52    53   0.00000  1.0 1.0
   54    49    52    57   0.67800  1.0 1.0
   54    49    52    57   0.47050 -1.0 2.0
   54    49    52    57  -0.62500  1.0 3.0
   47    44    45    46   7.00000 -1.0 2.0
   47    44    45    49   7.00000 -1.0 2.0
   47    50    56    59   0.49500  1.0 1.0
   47    50    56    59   1.31600 -1.0 2.0
   47    50    56    59  -0.02300  1.0 3.0
   47    50    56    61   1.59650  1.0 1.0
   47    50    56    61   0.42750 -1.0 2.0
   47    50    56    61  -0.48350  1.0 3.0
   48    47    50    51   2.45000 -1.0 2.0
   48    47    50    56   2.56700 -1.0 2.0
   50    56    59    60   7.00000 -1.0 2.0
   50    56    59    67   7.00000 -1.0 2.0
   50    56    61    62   0.15000  1.0 3.0
   50    56    61    63   0.15000  1.0 3.0
   50    56    61    64   0.15000  1.0 3.0
   51    50    56    59   1.00000 -1.0 2.0
   51    50    56    61  -0.64400  1.0 1.0
   51    50    56    61   0.26850 -1.0 2.0
   56    59    67    70   0.28850  1.0 1.0
   56    59    67    70   2.61350 -1.0 2.0
   56    59    67    70   0.78400  1.0 3.0
   56    59    67    72  -0.18600  1.0 3.0
   59    56    61    62   0.00000  1.0 1.0
   59    56    61    63   0.00000  1.0 1.0
   59    56    61    64   0.00000  1.0 1.0
   59    67    70    71   7.00000 -1.0 2.0
   59    67    70    78   7.00000 -1.0 2.0
   59    67    72    73   0.00000  1.0 1.0
   59    67    72    74   0.00000  1.0 1.0
   59    67    72    75   0.00000  1.0 1.0
   60    59    67    70  -0.18600  1.0 3.0
   60    59    67    72   0.00000  1.0 1.0
   67    70    78    79   0.00000  1.0 1.0
   67    70    78    82   0.09850  1.0 1.0
   67    70    78    82   0.15250 -1.0 2.0
   67    70    78    82  -0.50650  1.0 3.0
   67    70    78    86   0.09850  1.0 1.0
   67    70    78    86   0.15250 -1.0 2.0
   67    70    78    86  -0.50650  1.0 3.0
   70    67    72    73   0.00000  1.0 1.0
   70    67    72    74   0.00000  1.0 1.0
   70    67    72    75   0.00000  1.0 1.0
   70    78    82    83   0.15000  1.0 3.0
   70    78    82    84   0.15000  1.0 3.0
   70    78    82    85   0.15000  1.0 3.0
   70    78    86    87   0.15000  1.0 3.0
   70    78    86    88   0.15000  1.0 3.0
   70    78    86    91   0.34400  1.0 1.0
   70    78    86    91   0.09450 -1.0 2.0
   70    78    86    91   0.11100  1.0 3.0
   71    70    78    79   0.33100  1.0 3.0
   71    70    78    82   0.00000  1.0 1.0
   71    70    78    86   0.00000  1.0 1.0
   78    86    91    92   0.15000  1.0 3.0
   78    86    91    93   0.15000  1.0 3.0
   78    86    91    96   0.56750  1.0 1.0
   78    86    91    96  -0.07550 -1.0 2.0
   78    86    91    96   0.20000  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    91   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    91   0.56750  1.0 1.0
   82    78    86    91  -0.07550 -1.0 2.0
   82    78    86    91   0.20000  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
   86    91    96    97   0.15000  1.0 3.0
   86    91    96    98   0.15000  1.0 3.0
   86    91    96   101   0.56750  1.0 1.0
   86    91    96   101  -0.07550 -1.0 2.0
   86    91    96   101   0.20000  1.0 3.0
   87    86    91    92   0.15000  1.0 3.0
   87    86    91    93   0.15000  1.0 3.0
   87    86    91    96   0.15000  1.0 3.0
   88    86    91    92   0.15000  1.0 3.0
   88    86    91    93   0.15000  1.0 3.0
   88    86    91    96   0.15000  1.0 3.0
   91    96   101   102   0.15000  1.0 3.0
   91    96   101   103   0.15000  1.0 3.0
   91    96   101   104   0.15000  1.0 3.0
   92    91    96    97   0.15000  1.0 3.0
   92    91    96    98   0.15000  1.0 3.0
   92    91    96   101   0.15000  1.0 3.0
   93    91    96    97   0.15000  1.0 3.0
   93    91    96    98   0.15000  1.0 3.0
   93    91    96   101   0.15000  1.0 3.0
   97    96   101   102   0.15000  1.0 3.0
   97    96   101   103   0.15000  1.0 3.0
   97    96   101   104   0.15000  1.0 3.0
   98    96   101   102   0.15000  1.0 3.0
   98    96   101   103   0.15000  1.0 3.0
   98    96   101   104   0.15000  1.0 3.0
   72    67    70    71   7.00000 -1.0 2.0
   72    67    70    78   7.00000 -1.0 2.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    67   7.00000 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.65300  1.0 1.0
   42    38    40    44  -0.03850 -1.0 2.0
   42    38    40    44   0.33900  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
   38    44    40    41  10.50000 -1.0 2.0
   40    47    44    45   1.10000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   49    53    52    57  15.00000 -1.0 2.0
   65    58    57    52  15.00000 -1.0 2.0
   57    66    65    68  15.00000 -1.0 2.0
   76    69    68    65  15.00000 -1.0 2.0
   68    77    76    80  15.00000 -1.0 2.0
   89    81    80    76  15.00000 -1.0 2.0
   80    94    89    90  10.50000 -1.0 2.0
   95    89    94    99   1.00000 -1.0 2.0
   99   107   105   106  10.50000 -1.0 2.0
   99   110   113   114  10.50000 -1.0 2.0
   48    50    47    44   1.00000 -1.0 2.0
   47    56    50    51  10.50000 -1.0 2.0
   50    61    56    59  15.00000 -1.0 2.0
   67    60    59    56  15.00000 -1.0 2.0
   59    72    67    70  15.00000 -1.0 2.0
   78    71    70    67  15.00000 -1.0 2.0
END
