* LIGAND DATABASE FILE (OPLS2005)
*
001     102   104    182    279     531
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02056    95.84375    29.90904
    3     1 S   H    _H1_     3     1.02074    34.21405   144.82931
    4     1 S   H    _H2_     4     1.02165    83.95708   -78.35139
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.84081    97.58659  -158.14055
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C7_    37     1.55034   110.08260   -59.99841
   38    37 S   HC   _H3_    38     1.10178   108.42656    49.03958
   39    33 S   CT   _C12    99     1.53512   107.80925   174.89105
   40    39 S   HC   _H11   100     1.08554   109.40898   -57.33543
   41    39 S   HC   _H12   101     1.08593   109.42228  -177.36478
   42    39 S   HC   _H13   102     1.08624   109.39146    62.67573
   43    37 S   CT   _C8_    39     1.56323   112.45659   168.53712
   44    43 S   HC   _H4_    40     1.11563   109.02163    79.89558
   45    37 S   CO4  _C6_    89     1.50711   111.73493   -67.68665
   46    45 S   O    _O34    90     1.22302   124.09438   -61.93792
   47    43 S   CA   _C24    41     1.53027   109.34487  -165.07814
   48    43 S   CM   _C9_    55     1.52760   112.65296   -38.84870
   49    45 S   OS   _O33    91     1.36345   109.51209   118.10184
   50    47 S   CA   _C25    42     1.39508   119.02082    62.82941
   51    50 S   HA   _H26    43     1.08696   120.59910    -0.19782
   52    48 S   CM   _C10    56     1.35192   121.82154    10.53822
   53    48 S   CO4  _C14    63     1.47350   117.52852  -172.78588
   54    53 S   O    _O35    64     1.21706   123.25189   -56.70695
   55    49 S   CT   _C5_    92     1.43130   115.44040   179.96574
   56    55 S   HC   _H8_    93     1.09402   108.77315   -59.40247
   57    55 S   HC   _H9_    94     1.09368   108.81646    59.38607
   58    50 S   CA   _C26    44     1.39511   119.96185   179.96574
   59    58 S   HA   _H27    45     1.08555   120.01374   179.96044
   60    33 S   NE   _N4_    57     1.45531   107.95813    57.63161
   61    60 S   H    _H10    58     1.01553   117.42644    36.63967
   62    52 S   CT   _C13    59     1.50598   124.66459  -176.39897
   63    62 S   HC   _H14    60     1.08603   109.17103    90.00976
   64    62 S   HC   _H15    61     1.08582   109.22483   -30.16998
   65    62 S   HC   _H16    62     1.08573   109.16380  -149.82986
   66    53 S   OS   _O36    65     1.35451   108.39568   123.26248
   67    55 S   CT   _C4_    95     1.51394   109.00126  -180.00000
   68    67 S   HC   _H5_    96     1.09302   110.92126   -60.51325
   69    67 S   HC   _H6_    97     1.09436   110.66522    60.38095
   70    67 S   HC   _H7_    98     1.09571   110.60505   178.67766
   71    58 S   CA   _C27    46     1.39532   120.03209    -0.05595
   72    71 S   HA   _H28    47     1.08567   119.97195   180.00000
   73    66 S   CT   _C15    66     1.43100   115.05076   179.97202
   74    73 S   HC   _H17    67     1.09407   107.98717   -60.25349
   75    73 S   HC   _H18    68     1.09479   108.72578    57.96378
   76    71 S   CA   _C28    48     1.39462   119.95193     0.04846
   77    76 S   HA   _H29    49     1.08706   119.44764  -180.00000
   78    73 S   CT   _C16    69     1.51775   109.37038  -179.98022
   79    78 S   HC   _H19    70     1.09451   111.28352    58.21590
   80    78 S   HC   _H20    71     1.09468   110.35320   179.49024
   81    47 S   CA   _C29    50     1.39453   120.95039  -117.21257
   82    78 S   N    _N5_    72     1.48111   109.61723   -61.55982
   83    82 S   H    _H21    73     0.99851   115.27065   -85.86660
   84    81 S   CT   _C30    51     1.49334   120.96716     0.01978
   85    84 S   F    F1__    52     1.36546   113.57862   180.00000
   86    84 S   F    F2__    53     1.36485   113.53839   -59.88082
   87    84 S   F    F3__    54     1.36406   112.51217    60.06834
   88    82 S   C    _C17    74     1.36748   121.09678    90.03725
   89    88 S   O    _O37    75     1.22788   126.14955     0.01978
   90    88 S   CA   _C18    76     1.48502   114.58645  -178.80581
   91    90 S   CA   _C19    77     1.39510   119.97248   -26.99799
   92    91 S   HA   _H22    78     1.08696   120.64230    -0.06256
   93    91 S   CA   _C20    79     1.39497   119.98861  -180.00000
   94    93 S   HA   _H23    80     1.08708   119.52569  -179.97202
   95    93 S   CA   _C21    81     1.39479   120.03089     0.02798
   96    95 S   CA   _C22    82     1.39510   119.98054    -0.01978
   97    96 S   HA   _H24    83     1.08697   120.56782  -179.91607
   98    95 S   NZA  _N6_    86     1.39827   120.03578  -180.00000
   99    90 S   CA   _C23    84     1.39479   120.04688   153.02600
  100    99 S   HA   _H25    85     1.08728   120.52996    -0.11014
  101    98 S   NZC  _N7_    87     1.26249   112.41431   149.97207
  102   101 S   NZT  _N8_    88     1.08871   179.56840   179.36296
  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  12   5   4   3
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  15  13
   7   8   4   9   8   2   6   5   4   6   3   5   1   3   2   1
   1   7   3   2   1   1   5   3   8   5   4   6   2   7   4   3
   4   6   3   3   2   1   1   8   3   9   8   4   7   3   7   5
   3   3   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    60    61    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    60    61    62    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    81    48    52    60    61    53    45    46    49    55    39    40    41    42  
   43    44    47    48    60    45    46    49    39  
   40    41    42    43    45    52    60    61  
   41    42    60  
   42    60  
   60  
   44    47    50    51    58    76    81    84    48    52    60    62    53    54    66    45    46    49  
   47    50    81    48    52    53    45  
   46    49    55    56    57    67    47    48    60  
   49    55  
   50    51    58    59    71    76    77    81    84    85    86    87    48    52    53  
   52    60    61    62    63    64    65    53    54    66    73    50    81  
   55    56    57    67    68    69    70  
   51    58    59    71    72    76    81    84  
   58    59    71    81  
   60    61    62    63    64    65    53    54    66  
   54    66    73    74    75    78    60    62  
   66    73  
   56    57    67    68    69    70  
   57    67    68    69    70  
   67    68    69    70  
   59    71    72    76    77    81  
   71    72    76  
   61    62    63    64    65  
   62  
   63    64    65  
   64    65  
   65  
    0  
   73    74    75    78    79    80    82  
   68    69    70  
   69    70  
   70  
    0  
   72    76    77    81    84  
   76    77    81  
   74    75    78    79    80    82    83    88  
   75    78    79    80    82  
   78    79    80    82  
   77    81    84    85    86    87  
   81    84  
   79    80    82    83    88    89    90  
   80    82    83    88  
   82    83    88  
   84    85    86    87  
   83    88    89    90    91    99  
   88    89    90  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    92    93    96    99   100  
   90    91    99  
   91    92    93    94    95    96    97    99   100  
   92    93    94    95    96    99   100    98  
   93    94    95    99  
   94    95    96    97    99    98   101  
   95    96    98  
   96    97    99   100    98   101   102  
   97    99   100    98   101  
   99   100    98  
  101   102    99  
  100  
    0  
  102  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   83   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   84   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   86   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   87   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   88   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   90   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   95   3.5500   0.0700   0.150400   2.0020   1.7750   0.001000000  -0.843144165
   96   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   98   3.1800   0.2500  -0.450200   1.7990   1.5900   0.005000000   0.000000000
   99   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  101   3.1800   0.2500   0.609100   2.2900   2.0360   0.003973653   1.685851020
  102   3.1800   0.2500  -0.309300   1.7990   1.5900   0.005000000   0.000000000
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    60   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    81   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    71   469.000  1.400
   71    72   367.000  1.080
   71    76   469.000  1.400
   76    77   367.000  1.080
   76    81   469.000  1.400
   81    84   317.000  1.510
   84    85   367.000  1.332
   84    86   367.000  1.332
   84    87   367.000  1.332
   48    52   549.000  1.340
   48    53   320.000  1.462
   52    60   425.000  1.378
   52    62   317.000  1.510
   60    61   434.000  1.010
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    54   570.000  1.229
   53    66   214.000  1.327
   66    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    82   337.000  1.449
   82    83   434.000  1.010
   82    88   490.000  1.335
   88    89   570.000  1.229
   88    90   400.000  1.490
   90    91   469.000  1.400
   90    99   469.000  1.400
   91    92   367.000  1.080
   91    93   469.000  1.400
   93    94   367.000  1.080
   93    95   469.000  1.400
   95    96   469.000  1.400
   95    98   400.000  1.393
   96    97   367.000  1.080
   96    99   469.000  1.400
   99   100   367.000  1.080
   98   101   555.000  1.236
  101   102   920.000  1.138
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    60    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    60    52    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    81    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    53    65.00000  116.34900
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    58    63.00000  120.00000
   47    81    76    63.00000  120.00000
   47    81    84    70.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    71    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    71    72    35.00000  120.00000
   58    71    76    63.00000  120.00000
   71    58    59    35.00000  120.00000
   71    76    77    35.00000  120.00000
   71    76    81    63.00000  120.00000
   76    71    72    35.00000  120.00000
   76    81    84    70.00000  120.00000
   81    47    50    63.00000  120.00000
   81    76    77    35.00000  120.00000
   81    84    85    50.00000  109.50000
   81    84    86    50.00000  109.50000
   81    84    87    50.00000  109.50000
   86    84    85    77.00000  109.10000
   87    84    85    77.00000  109.10000
   87    84    86    77.00000  109.10000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    60    70.00000  124.03900
   48    52    62    70.00000  124.00000
   48    53    54    80.00000  123.72100
   48    53    66    90.00000  111.29400
   52    60    61    35.00000  114.50000
   52    62    63    35.00000  109.50000
   52    62    64    35.00000  109.50000
   52    62    65    35.00000  109.50000
   60    33    37    80.00000  111.61500
   62    52    60    75.00000  116.24600
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    48    52    65.00000  118.96000
   53    66    73    83.00000  116.90000
   66    53    54    83.00000  123.40000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    78    50.00000  109.50000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    82    70.00000  110.72300
   75    73    74    33.00000  107.80000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    82    83    38.00000  118.40000
   78    82    88    50.00000  121.90000
   80    78    79    33.00000  107.80000
   82    78    79    35.00000  109.50000
   82    78    80    35.00000  109.50000
   82    88    89    80.00000  122.90000
   82    88    90    75.00000  113.92100
   88    82    83    35.00000  119.80000
   88    90    91    85.00000  120.00000
   88    90    99    85.00000  120.00000
   90    88    89    80.00000  120.40000
   90    91    92    35.00000  120.00000
   90    91    93    63.00000  120.00000
   90    99    96    63.00000  120.00000
   90    99   100    35.00000  120.00000
   91    93    94    35.00000  120.00000
   91    93    95    63.00000  120.00000
   93    91    92    35.00000  120.00000
   93    95    96    63.00000  120.00000
   93    95    98    70.00000  121.00300
   95    93    94    35.00000  120.00000
   95    96    97    35.00000  120.00000
   95    96    99    63.00000  120.00000
   95    98   101    95.00000  110.16200
   96    99   100    35.00000  120.00000
   99    90    91    63.00000  120.00000
   99    96    97    35.00000  120.00000
   98    95    96    70.00000  121.00300
   98   101   102    50.00000  173.69900
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    55    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    67    50.00000  109.50000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    70    37.50000  110.70000
   57    55    56    33.00000  107.80000
   67    55    56    37.50000  110.70000
   67    55    57    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    60    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    60    52  -0.12500  1.0 1.0
   29    33    60    52  -0.12500 -1.0 2.0
   29    33    60    52   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    60    52   0.25450  1.0 1.0
   37    33    60    52  -0.61700 -1.0 2.0
   37    33    60    52  -0.23550  1.0 3.0
   37    33    60    61   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    81   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    53   0.09700  1.0 1.0
   37    43    48    53   0.15600 -1.0 2.0
   37    43    48    53  -0.50800  1.0 3.0
   37    45    49    55   1.63150  1.0 1.0
   37    45    49    55   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    58   3.62500 -1.0 2.0
   43    47    81    76   3.62500 -1.0 2.0
   43    47    81    84   3.62500 -1.0 2.0
   43    48    52    60   7.00000 -1.0 2.0
   43    48    52    62   7.00000 -1.0 2.0
   43    48    53    54  -0.64400  1.0 1.0
   43    48    53    54   0.26850 -1.0 2.0
   43    48    53    66  -0.15000  1.0 1.0
   43    48    53    66   0.89550 -1.0 2.0
   43    48    53    66  -0.06900  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    81   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    53   0.15000  1.0 3.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    53   0.09700  1.0 1.0
   47    43    48    53   0.15600 -1.0 2.0
   47    43    48    53  -0.50800  1.0 3.0
   47    50    58    59   3.62500 -1.0 2.0
   47    50    58    71   3.62500 -1.0 2.0
   47    81    84    85   0.00000  1.0 1.0
   47    81    84    86   0.00000  1.0 1.0
   47    81    84    87   0.00000  1.0 1.0
   50    47    81    76   3.62500 -1.0 2.0
   50    47    81    84   3.62500 -1.0 2.0
   50    58    71    72   3.62500 -1.0 2.0
   50    58   -71    76   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    71   3.62500 -1.0 2.0
   58    71    76    77   3.62500 -1.0 2.0
   58    71    76    81   3.62500 -1.0 2.0
   59    58    71    72   3.62500 -1.0 2.0
   59    58    71    76   3.62500 -1.0 2.0
   71    76   -81    47   3.62500 -1.0 2.0
   71    76    81    84   3.62500 -1.0 2.0
   72    71    76    77   3.62500 -1.0 2.0
   72    71    76    81   3.62500 -1.0 2.0
   76    81    84    85   0.00000  1.0 1.0
   76    81    84    86   0.00000  1.0 1.0
   76    81    84    87   0.00000  1.0 1.0
   77    76    81    47   3.62500 -1.0 2.0
   77    76    81    84   3.62500 -1.0 2.0
   81    47    50    51   3.62500 -1.0 2.0
   81    47   -50    58   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    81   0.18050 -1.0 2.0
   48    52   -60    33  -0.54700  1.0 1.0
   48    52   -60    33   1.23000 -1.0 2.0
   48    52    60    61   1.00000 -1.0 2.0
   48    52    62    63   0.00000  1.0 1.0
   48    52    62    64   0.00000  1.0 1.0
   48    52    62    65   0.00000  1.0 1.0
   48    53    66    73   2.00000 -1.0 2.0
   52    48    53    54   1.00000 -1.0 2.0
   52    48    53    66  -0.56150  1.0 1.0
   52    48    53    66   2.19150 -1.0 2.0
   60    33    37    38   0.22950  1.0 3.0
   60    33   -37    43   1.26750  1.0 1.0
   60    33   -37    43  -0.00950 -1.0 2.0
   60    33   -37    43   0.30600  1.0 3.0
   60    33    37    45  -2.10200  1.0 1.0
   60    33    37    45  -0.31600 -1.0 2.0
   60    33    37    45   0.13050  1.0 3.0
   60    33    39    40   0.22950  1.0 3.0
   60    33    39    41   0.22950  1.0 3.0
   60    33    39    42   0.22950  1.0 3.0
   60    52    62    63  -0.18050  1.0 3.0
   60    52    62    64  -0.18050  1.0 3.0
   60    52    62    65  -0.18050  1.0 3.0
   62    52    60    33   1.00000 -1.0 2.0
   62    52    60    61   2.40850 -1.0 2.0
   53    48    52    60   7.00000 -1.0 2.0
   53    48    52    62   7.00000 -1.0 2.0
   53    66    73    74   0.08050  1.0 3.0
   53    66    73    75   0.08050  1.0 3.0
   53    66    73    78  -0.25900  1.0 1.0
   53    66    73    78  -0.47000 -1.0 2.0
   53    66    73    78   0.11750  1.0 3.0
   54    53    66    73   3.00000 -1.0 2.0
   66    73    78    79   0.23400  1.0 3.0
   66    73    78    80   0.23400  1.0 3.0
   66    73    78    82   1.12100  1.0 1.0
   66    73    78    82  -0.16500 -1.0 2.0
   73    78    82    83   0.00000  1.0 1.0
   73    78    82    88  -0.43950  1.0 1.0
   73    78    82    88  -0.08100 -1.0 2.0
   73    78    82    88   0.03350  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    82   0.15000  1.0 3.0
   75    73    78    79   0.15000  1.0 3.0
   75    73    78    80   0.15000  1.0 3.0
   75    73    78    82   0.15000  1.0 3.0
   78    82    88    89   3.04450 -1.0 2.0
   78    82    88    90   1.49850  1.0 1.0
   78    82    88    90   1.53950 -1.0 2.0
   79    78    82    83   0.00000  1.0 1.0
   79    78    82    88   0.00000  1.0 1.0
   80    78    82    83   0.00000  1.0 1.0
   80    78    82    88   0.00000  1.0 1.0
   82    88    90    91   0.75700  1.0 1.0
   82    88    90    91   0.34650 -1.0 2.0
   82    88    90    91   0.33000  1.0 3.0
   82    88    90    91  -0.28100 -1.0 4.0
   82    88    90    99   0.75700  1.0 1.0
   82    88    90    99   0.34650 -1.0 2.0
   82    88    90    99   0.33000  1.0 3.0
   82    88    90    99  -0.28100 -1.0 4.0
   83    82    88    89   2.45000 -1.0 2.0
   83    82    88    90   2.56700 -1.0 2.0
   88    90    91    92   3.62500 -1.0 2.0
   88    90    91    93   3.62500 -1.0 2.0
   88    90    99    96   3.62500 -1.0 2.0
   88    90    99   100   3.62500 -1.0 2.0
   89    88    90    91   1.05000 -1.0 2.0
   89    88    90    99   1.05000 -1.0 2.0
   90    91    93    94   3.62500 -1.0 2.0
   90    91    93    95   3.62500 -1.0 2.0
   91    90    99    96   3.62500 -1.0 2.0
   91    90    99   100   3.62500 -1.0 2.0
   91    93   -95    96   3.62500 -1.0 2.0
   91    93    95    98   3.62500 -1.0 2.0
   92    91    93    94   3.62500 -1.0 2.0
   92    91    93    95   3.62500 -1.0 2.0
   93    95    96    97   3.62500 -1.0 2.0
   93    95    96    99   3.62500 -1.0 2.0
   93    95    98   101  -0.10750  1.0 1.0
   93    95    98   101   2.05950 -1.0 2.0
   93    95    98   101  -0.55750  1.0 3.0
   94    93    95    96   3.62500 -1.0 2.0
   94    93    95    98   3.62500 -1.0 2.0
   95    96   -99    90   3.62500 -1.0 2.0
   95    96    99   100   3.62500 -1.0 2.0
   95    98   101   102   0.00000  1.0 1.0
   96    95    98   101  -0.10750  1.0 1.0
   96    95    98   101   2.05950 -1.0 2.0
   96    95    98   101  -0.55750  1.0 3.0
   97    96    99    90   3.62500 -1.0 2.0
   97    96    99   100   3.62500 -1.0 2.0
   99    90    91    92   3.62500 -1.0 2.0
   99    90   -91    93   3.62500 -1.0 2.0
   98    95    96    97   3.62500 -1.0 2.0
   98    95    96    99   3.62500 -1.0 2.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    55    56   0.08050  1.0 3.0
   45    49    55    57   0.08050  1.0 3.0
   45    49    55    67  -0.25900  1.0 1.0
   45    49    55    67  -0.47000 -1.0 2.0
   45    49    55    67   0.11750  1.0 3.0
   46    45    49    55   3.00000 -1.0 2.0
   49    55    67    68   0.23400  1.0 3.0
   49    55    67    69   0.23400  1.0 3.0
   49    55    67    70   0.23400  1.0 3.0
   56    55    67    68   0.15000  1.0 3.0
   56    55    67    69   0.15000  1.0 3.0
   56    55    67    70   0.15000  1.0 3.0
   57    55    67    68   0.15000  1.0 3.0
   57    55    67    69   0.15000  1.0 3.0
   57    55    67    70   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    60    52   0.25450  1.0 1.0
   39    33    60    52  -0.61700 -1.0 2.0
   39    33    60    52  -0.23550  1.0 3.0
   39    33    60    61   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   50    81    47    43   4.00000 -1.0 2.0
   58    51    50    47   1.10000 -1.0 2.0
   71    59    58    50   1.10000 -1.0 2.0
   76    72    71    58   1.10000 -1.0 2.0
   81    77    76    71   1.10000 -1.0 2.0
   76    84    81    47   4.00000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   62    60    52    48   1.10000 -1.0 2.0
   61    52    60    33   1.00000 -1.0 2.0
   48    66    53    54  10.50000 -1.0 2.0
   83    88    82    78   1.00000 -1.0 2.0
   82    90    88    89  10.50000 -1.0 2.0
   91    99    90    88   4.00000 -1.0 2.0
   93    92    91    90   1.10000 -1.0 2.0
   95    94    93    91   1.10000 -1.0 2.0
   96    98    95    93   4.00000 -1.0 2.0
   99    97    96    95   1.10000 -1.0 2.0
   96   100    99    90   1.10000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
