* LIGAND DATABASE FILE (OPLS2005)
*
001     108   110    204    296     588
    1     0 S   NP   _N1_     1    29.94727    96.01376   -25.19448
    2     1 S   H    _HN1     2     1.02781   113.35927   -79.03071
    3     1 S   H    _H1_     3     1.02948    67.84081    22.20259
    4     1 S   H    _H2_     4     1.02833    39.94812  -169.29365
    5     1 S   CT   _CA1     5     1.50107   132.03336   120.26574
    6     5 S   HC   _HA1     6     1.09569   105.22604    99.53230
    7     5 S   CO3  _C1_     7     1.53790   112.37006   -20.77492
    8     7 S   O2Z  _O11     8     1.26374   114.98455   -44.14609
    9     7 S   O2Z  _O12     9     1.26231   114.95218   134.97865
   10     5 S   CT   _CB1    10     1.53077   107.45116  -142.44228
   11    10 S   HC   HB11    11     1.09836   109.45878   -49.48140
   12    10 S   HC   HB12    12     1.09823   110.43786    67.12626
   13    10 S   CT   _CG1    13     1.53024   112.56545  -170.45068
   14    13 S   HC   HG11    14     1.09580   110.62052   -64.11410
   15    13 S   HC   HG12    15     1.09658   109.87200    55.18590
   16    13 S   C    _CD1    16     1.51722   112.11051   175.66758
   17    16 S   O    _OE1    17     1.22714   123.17376     5.49783
   18    16 S   N    _N2_    18     1.38564   111.84569  -174.89950
   19    18 S   H    _HN2    19     1.01602   119.10326     0.46562
   20    18 S   CT1  _CA2    20     1.45968   123.07826   178.95096
   21    20 S   HC   _HA2    21     1.09449   108.71420   -12.69086
   22    20 S   C    _C2_    22     1.53354   108.78414  -127.34775
   23    22 S   O    _O2_    23     1.23042   122.39242  -146.68146
   24    20 S   CT   _CB2    32     1.53271   111.76751   109.71332
   25    24 S   HC   HB21    33     1.09654   109.56092    53.06718
   26    24 S   HC   HB22    34     1.09479   111.48697   170.40536
   27    22 S   N    _N3_    24     1.38371   113.53379    41.61345
   28    27 S   H    _HN3    25     1.01646   119.61191    -5.44291
   29    24 S   S    _SG2    35     1.82959   114.05254   -66.59010
   30    27 S   CT   _CA3    26     1.45337   122.73838   175.51869
   31    30 S   HC   HA31    27     1.09562   107.74630   -54.61131
   32    30 S   HC   HA32    28     1.09540   107.78440    61.57835
   33    29 S   CT   _C11    36     1.84466   100.30548   -71.79766
   34    33 S   HC   _H7_    37     1.09454   107.07299    63.46523
   35    30 S   CO3  _C3_    29     1.52814   113.94000  -177.26835
   36    35 S   O2Z  _O31    30     1.26379   115.74842   -26.74217
   37    35 S   O2Z  _O32    31     1.26418   114.61255   153.71809
   38    33 S   CT   _C12    38     1.53921   110.08635  -176.35739
   39    38 S   HC   _H8_    39     1.09921   108.23334    55.55104
   40    33 S   OS   _O33    54     1.42956   109.54261   -55.19833
   41    38 S   CT   _C8_    40     1.54588   110.96652   174.49078
   42    41 S   HC   _H4_    41     1.09729   109.60310    76.56475
   43    38 S   CO4  _C13   102     1.52205   112.29998   -62.17912
   44    43 S   O    _O34   103     1.22548   123.13886   127.08943
   45    41 S   CT   _C7_    42     1.53198   112.61869  -161.01344
   46    45 S   HC   _H19    43     1.09399   113.67632   -36.19174
   47    45 S   HC   _H20    44     1.09736   109.25211  -155.71872
   48    43 S   OS   _O35   104     1.36237   111.30293   -53.78445
   49    45 S   CT   _C6_    45     1.53000   105.93520    87.16464
   50    49 S   HC   _H17    46     1.09570   110.16797   134.87553
   51    49 S   HC   _H18    47     1.09605   110.54304  -106.89839
   52    48 S   CT   _C14   105     1.43044   115.23471   178.65303
   53    52 S   HC   _H21   106     1.09313   108.19507  -179.21715
   54    52 S   HC   _H22   107     1.09412   110.28346    62.05458
   55    52 S   HC   _H23   108     1.09434   110.27594   -60.60703
   56    49 S   CT   _C5_    48     1.53645   106.46311    12.41557
   57    56 S   HC   _H3_    49     1.09773   108.43496  -103.65640
   58    41 S   CT   _C9_    50     1.53640   112.56053   -46.13728
   59    58 S   HC   _H5_    51     1.09965   108.33905   165.47219
   60    56 S   CT   _C4_    98     1.52318   112.35892   137.23360
   61    60 S   HC   _H14    99     1.09520   111.38278   -61.06249
   62    60 S   HC   _H15   100     1.09433   111.05559   178.55179
   63    60 S   HC   _H16   101     1.09507   110.54992    58.92620
   64    58 S   CO   _C10    52     1.52972   112.45278    44.83133
   65    64 S   HC   _H6_    53     1.09535   108.86623  -168.12098
   66    64 S   OS   _O36    55     1.43262   108.10021    74.76507
   67    66 S   CO   _C15    56     1.43234   113.15834   174.95220
   68    67 S   HC   _H9_    57     1.09531   108.45488    52.96899
   69    67 S   CT   _C16    58     1.53163   107.64166   171.93890
   70    69 S   HC   _H10    59     1.09772   109.34739    58.89267
   71    69 S   CT   _C17    60     1.53357   109.98357   179.86583
   72    71 S   HC   _H11    61     1.09621   110.48492    70.62654
   73    69 S   OS   _O44    91     1.44587   107.72974   -61.17139
   74    71 S   CT   _C18    62     1.53703   111.13686   -50.78435
   75    74 S   HC   _H12    63     1.09832   109.54801   -72.25985
   76    71 S   OS   _O42    84     1.44735   109.25698  -169.26164
   77    73 S   CO4  _C27    92     1.36232   117.73679   136.45284
   78    77 S   O    _O45    93     1.22327   126.60911     0.72253
   79    74 S   CT   _C19    64     1.53493   110.93674    48.74541
   80    79 S   HC   _H13    65     1.09807   110.88292    66.38143
   81    74 S   OS   _O40    77     1.44639   108.52554   166.99147
   82    76 S   CO4  _C25    85     1.36228   117.98215   -97.13291
   83    82 S   O    _O43    86     1.22280   126.52455     2.58028
   84    77 S   CT   _C28    94     1.49723   109.56486  -179.57113
   85    84 S   HC   _H35    95     1.09373   109.38652  -179.54889
   86    84 S   HC   _H36    96     1.09194   109.65723    61.54461
   87    84 S   HC   _H37    97     1.09272   109.87655   -60.53663
   88    67 S   OS   _O37    66     1.42729   111.77685   -68.19933
   89    79 S   CT   _C20    67     1.53111   111.44453  -173.23447
   90    89 S   HC   _H24    68     1.09642   110.41374    68.56543
   91    89 S   HC   _H25    69     1.09538   110.98474   -53.71169
   92    81 S   CO4  _C23    78     1.36188   118.12430    94.47942
   93    92 S   O    _O41    79     1.22293   126.56755     2.17142
   94    82 S   CT   _C26    87     1.49782   109.44102  -178.00718
   95    94 S   HC   _H32    88     1.09283   109.79543   -62.61885
   96    94 S   HC   _H33    89     1.09376   109.35298   178.22833
   97    94 S   HC   _H34    90     1.09299   109.83001    59.30072
   98    89 S   OS   _O38    70     1.44044   108.12034  -172.74309
   99    92 S   CT   _C24    80     1.49836   109.38471  -177.87846
  100    99 S   HC   _H29    81     1.09286   109.82709   -61.44409
  101    99 S   HC   _H30    82     1.09375   109.36847   179.45035
  102    99 S   HC   _H31    83     1.09285   109.81526    60.45123
  103    98 S   CO4  _C21    71     1.36222   115.54639  -178.70020
  104   103 S   O    _O39    72     1.22331   126.23537    -0.38563
  105   103 S   CT   _C22    73     1.49835   109.58491   179.63523
  106   105 S   HC   _H26    74     1.09295   109.83049   -60.63618
  107   105 S   HC   _H27    75     1.09379   109.36132  -179.66370
  108   105 S   HC   _H28    76     1.09289   109.83176    61.26784
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  14   6   2   1   1  16   8   9  18   9   8   2  11   6   5   4
  11   5   4   3   2   1   1  10   7   9   4   4   2   1   1   6
   2   8  13   6  14   7  15   7   9  14   7   8   5   4   9   6
   8   5   4   3   2   1   1   4   6   3   2   5   4   3   2   1
   1   6   3   2   1   1   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    64    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    58    64    65    40    66    43    44    48  
   38    39    41    64    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    47    49    56    58    59    64    40    43    44    48    52  
   41    42    45    58    40    43    44    48  
   66    67    43    41    56    58    59    64    65  
   42    45    46    47    49    50    51    56    57    58    59    64    65    66    60    43    44    48  
   45    46    47    49    56    58    59    64    43  
   44    48    52    53    54    55    45    58  
   48    52  
   46    47    49    50    51    56    57    58    59    64    60  
   47    49    50    51    56    58  
   49    50    51    56    58  
   52    53    54    55  
   50    51    56    57    58    59    64    60    61    62    63  
   51    56    57    58    60  
   56    57    58    60  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    64    65    66    60    61    62    63  
   58    59    64    60    61    62    63  
   59    64    65    66    67    60    61    62    63  
   64    65    66    60  
   61    62    63    64  
   62    63  
   63  
    0  
   65    66    67    68    69    88  
   66    67  
   67    68    69    70    71    79    88    73  
   68    69    70    71    72    74    79    80    88    89    76    73    77  
   69    70    71    79    88    73  
   70    71    72    74    75    79    88    81    76    82    73    77    78    84  
   71    72    74    88    76    73    77  
   72    74    75    79    80    88    89    81    92    76    82    83    94    73    77  
   74    75    79    81    76    82    73  
   77    78    84    85    86    87    74    76    88  
   75    79    80    88    89    90    91    98    81    92    93    99    76    82  
   79    80    88    89    81    92    76  
   82    83    94    95    96    97    79    81  
   78    84    85    86    87  
   84    85    86    87  
   80    88    89    90    91    98   103    81    92  
   88    89    90    91    98    81  
   92    93    99   100   101   102    88    89  
   83    94    95    96    97  
   94    95    96    97  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    98  
   90    91    98   103   104   105  
   91    98   103  
   98   103  
   93    99   100   101   102  
   99   100   101   102  
   95    96    97  
   96    97  
   97  
    0  
  103   104   105   106   107   108  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108  
  107   108  
  108  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  104   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  108   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    58   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   268.000  1.529
   58    59   340.000  1.090
   58    64   250.000  1.527
   64    65   340.000  1.090
   64    40   320.000  1.380
   64    66   320.000  1.380
   66    67   320.000  1.380
   67    68   340.000  1.090
   67    69   250.000  1.527
   67    88   320.000  1.380
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    73   320.000  1.410
   71    72   340.000  1.090
   71    74   268.000  1.529
   71    76   320.000  1.410
   74    75   340.000  1.090
   74    79   268.000  1.529
   74    81   320.000  1.410
   79    80   340.000  1.090
   79    88   320.000  1.410
   79    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    98   320.000  1.410
   98   103   214.000  1.327
  103   104   570.000  1.229
  103   105   317.000  1.522
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   81    92   214.000  1.327
   92    93   570.000  1.229
   92    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   76    82   214.000  1.327
   82    83   570.000  1.229
   82    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   73    77   214.000  1.327
   77    78   570.000  1.229
   77    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   43    44   570.000  1.229
   43    48   214.000  1.327
   48    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    64    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    41    58    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    48    81.00000  111.40000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    49    58.35000  112.70000
   41    58    56    58.35000  112.70000
   41    58    59    37.50000  110.70000
   41    58    64    75.00000  109.43000
   45    41    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    56    58.35000  112.70000
   47    45    46    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    58.35000  112.70000
   49    56    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    64    75.00000  109.43000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   58    41    42    37.50000  110.70000
   58    41    45    58.35000  112.70000
   58    56    57    37.50000  110.70000
   58    64    65    45.00000  112.01100
   58    64    40    90.00000  108.56700
   58    64    66    90.00000  108.56700
   64    58    59    45.00000  108.72000
   64    66    67   100.00000  109.58800
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    64    65    35.00000  109.50000
   66    64    65    35.00000  109.50000
   66    64    40    92.60000  111.55000
   66    67    68    35.00000  109.50000
   66    67    69    90.00000  108.56700
   66    67    88    92.60000  111.55000
   67    69    70    45.00000  108.72000
   67    69    71    75.00000  109.43000
   67    69    73    90.00000  109.38000
   67    88    79    60.00000  109.50000
   69    67    68    45.00000  112.01100
   69    71    72    37.50000  110.70000
   69    71    74    58.35000  112.70000
   69    71    76    50.00000  109.50000
   69    73    77    83.00000  116.90000
   71    69    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    79    58.35000  112.70000
   71    74    81    50.00000  109.50000
   71    76    82    83.00000  116.90000
   74    71    72    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    88    50.00000  109.50000
   74    79    89    58.35000  112.70000
   74    81    92    83.00000  116.90000
   79    74    75    37.50000  110.70000
   79    89    90    37.50000  110.70000
   79    89    91    37.50000  110.70000
   79    89    98    50.00000  109.50000
   88    67    68    35.00000  109.50000
   88    67    69    90.00000  108.56700
   88    79    80    35.00000  109.50000
   89    79    80    37.50000  110.70000
   89    79    88    50.00000  109.50000
   89    98   103    83.00000  116.90000
   91    89    90    33.00000  107.80000
   98    89    90    35.00000  109.50000
   98    89    91    35.00000  109.50000
   98   103   104    83.00000  123.40000
   98   103   105    81.00000  111.40000
  103   105   106    35.00000  109.50000
  103   105   107    35.00000  109.50000
  103   105   108    35.00000  109.50000
  105   103   104    80.00000  120.40000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   81    74    75    35.00000  109.50000
   81    74    79    50.00000  109.50000
   81    92    93    83.00000  123.40000
   81    92    99    81.00000  111.40000
   92    99   100    35.00000  109.50000
   92    99   101    35.00000  109.50000
   92    99   102    35.00000  109.50000
   99    92    93    80.00000  120.40000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    74    50.00000  109.50000
   76    82    83    83.00000  123.40000
   76    82    94    81.00000  111.40000
   82    94    95    35.00000  109.50000
   82    94    96    35.00000  109.50000
   82    94    97    35.00000  109.50000
   94    82    83    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   73    77    78    83.00000  123.40000
   73    77    84    81.00000  111.40000
   77    84    85    35.00000  109.50000
   77    84    86    35.00000  109.50000
   77    84    87    35.00000  109.50000
   84    77    78    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   43    48    52    83.00000  116.90000
   48    43    44    83.00000  123.40000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    64   0.14700  1.0 1.0
   29    33    40    64  -1.16150 -1.0 2.0
   29    33    40    64   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    38    41    58   0.56750  1.0 1.0
   33    38    41    58  -0.07550 -1.0 2.0
   33    38    41    58   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    48   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    64   0.37050  1.0 3.0
   38    33    40    64   0.06250  1.0 1.0
   38    33    40    64  -0.01100 -1.0 2.0
   38    33    40    64   0.28050  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    49   0.56750  1.0 1.0
   38    41    45    49  -0.07550 -1.0 2.0
   38    41    45    49   0.20000  1.0 3.0
   38    41    58    56   0.56750  1.0 1.0
   38    41    58    56  -0.07550 -1.0 2.0
   38    41    58    56   0.20000  1.0 3.0
   38    41    58    59   0.15000  1.0 3.0
   38    41   -58    64   3.97050  1.0 1.0
   38    43    48    52   1.63150  1.0 1.0
   38    43    48    52   2.92000 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    41    58   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    48   0.00000  1.0 1.0
   41    38    43    44   0.30150 -1.0 2.0
   41    38    43    48   0.36750  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45   -49    56   0.56750  1.0 1.0
   41    45   -49    56  -0.07550 -1.0 2.0
   41    45   -49    56   0.20000  1.0 3.0
   41    58    64    65   0.15000  1.0 3.0
   41    58    64    40   0.62750  1.0 1.0
   41    58    64    40  -0.30950 -1.0 2.0
   41    58    64    40   0.27300  1.0 3.0
   41    58    64    66   0.62750  1.0 1.0
   41    58    64    66  -0.30950 -1.0 2.0
   41    58    64    66   0.27300  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    58    56   0.15000  1.0 3.0
   42    41    58    59   0.15000  1.0 3.0
   42    41    58    64   0.15000  1.0 3.0
   45    41   -58    56   0.56750  1.0 1.0
   45    41   -58    56  -0.07550 -1.0 2.0
   45    41   -58    56   0.20000  1.0 3.0
   45    41    58    59   0.15000  1.0 3.0
   45    41    58    64   3.97050  1.0 1.0
   45    49    56    57   0.15000  1.0 3.0
   45    49   -56    58   0.56750  1.0 1.0
   45    49   -56    58  -0.07550 -1.0 2.0
   45    49   -56    58   0.20000  1.0 3.0
   45    49    56    60   0.56750  1.0 1.0
   45    49    56    60  -0.07550 -1.0 2.0
   45    49    56    60   0.20000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    56   0.15000  1.0 3.0
   47    45    49    50   0.15000  1.0 3.0
   47    45    49    51   0.15000  1.0 3.0
   47    45    49    56   0.15000  1.0 3.0
   49    56   -58    41   0.56750  1.0 1.0
   49    56   -58    41  -0.07550 -1.0 2.0
   49    56   -58    41   0.20000  1.0 3.0
   49    56    58    59   0.15000  1.0 3.0
   49    56    58    64   3.97050  1.0 1.0
   49    56    60    61   0.15000  1.0 3.0
   49    56    60    62   0.15000  1.0 3.0
   49    56    60    63   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    60   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    60   0.15000  1.0 3.0
   56    58    64    65   0.15000  1.0 3.0
   56    58    64    40   0.62750  1.0 1.0
   56    58    64    40  -0.30950 -1.0 2.0
   56    58    64    40   0.27300  1.0 3.0
   56    58    64    66   0.62750  1.0 1.0
   56    58    64    66  -0.30950 -1.0 2.0
   56    58    64    66   0.27300  1.0 3.0
   57    56    58    41   0.15000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    64   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   58    41    45    46   0.15000  1.0 3.0
   58    41    45    47   0.15000  1.0 3.0
   58    41   -45    49   0.56750  1.0 1.0
   58    41   -45    49  -0.07550 -1.0 2.0
   58    41   -45    49   0.20000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    63   0.15000  1.0 3.0
   58    64   -40    33   0.06250  1.0 1.0
   58    64   -40    33  -0.01100 -1.0 2.0
   58    64   -40    33   0.28050  1.0 3.0
   58    64    66    67   0.06250  1.0 1.0
   58    64    66    67  -0.01100 -1.0 2.0
   58    64    66    67   0.28050  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    40   0.23400  1.0 3.0
   59    58    64    66   0.23400  1.0 3.0
   64    66    67    68   0.37050  1.0 3.0
   64    66    67    69   0.06250  1.0 1.0
   64    66    67    69  -0.01100 -1.0 2.0
   64    66    67    69   0.28050  1.0 3.0
   64    66    67    88  -0.53350  1.0 1.0
   64    66    67    88  -0.78350 -1.0 2.0
   64    66    67    88   0.33750  1.0 3.0
   65    64    40    33   0.37050  1.0 3.0
   65    64    66    67   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -0.09450  1.0 1.0
   40    33    38    43  -1.12950 -1.0 2.0
   40    33    38    43   0.54000  1.0 3.0
   40    64    66    67  -0.53350  1.0 1.0
   40    64    66    67  -0.78350 -1.0 2.0
   40    64    66    67   0.33750  1.0 3.0
   66    64    40    33  -0.81800  1.0 1.0
   66    67    69    70   0.23400  1.0 3.0
   66    67    69    71   0.62750  1.0 1.0
   66    67    69    71  -0.30950 -1.0 2.0
   66    67    69    71   0.27300  1.0 3.0
   66    67    69    73   1.11900  1.0 1.0
   66    67    69    73  -1.16350 -1.0 2.0
   66    67    69    73  -0.34150  1.0 3.0
   66    67    88    79  -0.81800  1.0 1.0
   67    69    71    72   0.15000  1.0 3.0
   67    69    71    74   3.97050  1.0 1.0
   67    69    71    76   0.62750  1.0 1.0
   67    69    71    76  -0.30950 -1.0 2.0
   67    69    71    76   0.27300  1.0 3.0
   67    69    73    77  -0.25900  1.0 1.0
   67    69    73    77  -0.47000 -1.0 2.0
   67    69    73    77   0.11750  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    73   0.23400  1.0 3.0
   68    67    88    79   0.37050  1.0 3.0
   69    67    88    79   0.06250  1.0 1.0
   69    67    88    79  -0.01100 -1.0 2.0
   69    67    88    79   0.28050  1.0 3.0
   69    71    74    75   0.15000  1.0 3.0
   69    71   -74    79   0.56750  1.0 1.0
   69    71   -74    79  -0.07550 -1.0 2.0
   69    71   -74    79   0.20000  1.0 3.0
   69    71    74    81   0.62750  1.0 1.0
   69    71    74    81  -0.30950 -1.0 2.0
   69    71    74    81   0.27300  1.0 3.0
   69    71    76    82  -0.25900  1.0 1.0
   69    71    76    82  -0.47000 -1.0 2.0
   69    71    76    82   0.11750  1.0 3.0
   69    73    77    78   3.00000 -1.0 2.0
   69    73    77    84   1.63150  1.0 1.0
   69    73    77    84   2.92000 -1.0 2.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    71    76   0.23400  1.0 3.0
   70    69    73    77   0.08050  1.0 3.0
   71    69    73    77  -0.25900  1.0 1.0
   71    69    73    77  -0.47000 -1.0 2.0
   71    69    73    77   0.11750  1.0 3.0
   71    74    79    80   0.15000  1.0 3.0
   71    74    79    88   0.62750  1.0 1.0
   71    74    79    88  -0.30950 -1.0 2.0
   71    74    79    88   0.27300  1.0 3.0
   71    74    79    89   0.56750  1.0 1.0
   71    74    79    89  -0.07550 -1.0 2.0
   71    74    79    89   0.20000  1.0 3.0
   71    74    81    92  -0.25900  1.0 1.0
   71    74    81    92  -0.47000 -1.0 2.0
   71    74    81    92   0.11750  1.0 3.0
   71    76    82    83   3.00000 -1.0 2.0
   71    76    82    94   1.63150  1.0 1.0
   71    76    82    94   2.92000 -1.0 2.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    79   0.15000  1.0 3.0
   72    71    74    81   0.23400  1.0 3.0
   72    71    76    82   0.08050  1.0 3.0
   74    71    76    82  -0.25900  1.0 1.0
   74    71    76    82  -0.47000 -1.0 2.0
   74    71    76    82   0.11750  1.0 3.0
   74    79   -88    67   0.06250  1.0 1.0
   74    79   -88    67  -0.01100 -1.0 2.0
   74    79   -88    67   0.28050  1.0 3.0
   74    79    89    90   0.15000  1.0 3.0
   74    79    89    91   0.15000  1.0 3.0
   74    79    89    98   0.62750  1.0 1.0
   74    79    89    98  -0.30950 -1.0 2.0
   74    79    89    98   0.27300  1.0 3.0
   74    81    92    93   3.00000 -1.0 2.0
   74    81    92    99   1.63150  1.0 1.0
   74    81    92    99   2.92000 -1.0 2.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    88   0.23400  1.0 3.0
   75    74    79    89   0.15000  1.0 3.0
   75    74    81    92   0.08050  1.0 3.0
   79    74    81    92  -0.25900  1.0 1.0
   79    74    81    92  -0.47000 -1.0 2.0
   79    74    81    92   0.11750  1.0 3.0
   79    89    98   103  -0.25900  1.0 1.0
   79    89    98   103  -0.47000 -1.0 2.0
   79    89    98   103   0.11750  1.0 3.0
   80    79    88    67   0.37050  1.0 3.0
   80    79    89    90   0.15000  1.0 3.0
   80    79    89    91   0.15000  1.0 3.0
   80    79    89    98   0.23400  1.0 3.0
   88    67    69    70   0.23400  1.0 3.0
   88    67   -69    71   0.62750  1.0 1.0
   88    67   -69    71  -0.30950 -1.0 2.0
   88    67   -69    71   0.27300  1.0 3.0
   88    67    69    73   1.11900  1.0 1.0
   88    67    69    73  -1.16350 -1.0 2.0
   88    67    69    73  -0.34150  1.0 3.0
   88    79    89    90   0.23400  1.0 3.0
   88    79    89    91   0.23400  1.0 3.0
   88    79    89    98   1.11900  1.0 1.0
   88    79    89    98  -1.16350 -1.0 2.0
   88    79    89    98  -0.34150  1.0 3.0
   89    79    88    67   0.06250  1.0 1.0
   89    79    88    67  -0.01100 -1.0 2.0
   89    79    88    67   0.28050  1.0 3.0
   89    98   103   104   3.00000 -1.0 2.0
   89    98   103   105   1.63150  1.0 1.0
   89    98   103   105   2.92000 -1.0 2.0
   90    89    98   103   0.08050  1.0 3.0
   91    89    98   103   0.08050  1.0 3.0
   98   103   105   106   0.00000  1.0 1.0
   98   103   105   107   0.00000  1.0 1.0
   98   103   105   108   0.00000  1.0 1.0
  104   103   105   106   0.00000  1.0 1.0
  104   103   105   107   0.00000  1.0 1.0
  104   103   105   108   0.00000  1.0 1.0
   81    74    79    80   0.23400  1.0 3.0
   81    74    79    88   1.11900  1.0 1.0
   81    74    79    88  -1.16350 -1.0 2.0
   81    74    79    88  -0.34150  1.0 3.0
   81    74    79    89   0.62750  1.0 1.0
   81    74    79    89  -0.30950 -1.0 2.0
   81    74    79    89   0.27300  1.0 3.0
   81    92    99   100   0.00000  1.0 1.0
   81    92    99   101   0.00000  1.0 1.0
   81    92    99   102   0.00000  1.0 1.0
   93    92    99   100   0.00000  1.0 1.0
   93    92    99   101   0.00000  1.0 1.0
   93    92    99   102   0.00000  1.0 1.0
   76    71    74    75   0.23400  1.0 3.0
   76    71    74    79   0.62750  1.0 1.0
   76    71    74    79  -0.30950 -1.0 2.0
   76    71    74    79   0.27300  1.0 3.0
   76    71    74    81   1.11900  1.0 1.0
   76    71    74    81  -1.16350 -1.0 2.0
   76    71    74    81  -0.34150  1.0 3.0
   76    82    94    95   0.00000  1.0 1.0
   76    82    94    96   0.00000  1.0 1.0
   76    82    94    97   0.00000  1.0 1.0
   83    82    94    95   0.00000  1.0 1.0
   83    82    94    96   0.00000  1.0 1.0
   83    82    94    97   0.00000  1.0 1.0
   73    69    71    72   0.23400  1.0 3.0
   73    69    71    74   0.62750  1.0 1.0
   73    69    71    74  -0.30950 -1.0 2.0
   73    69    71    74   0.27300  1.0 3.0
   73    69    71    76   1.11900  1.0 1.0
   73    69    71    76  -1.16350 -1.0 2.0
   73    69    71    76  -0.34150  1.0 3.0
   73    77    84    85   0.00000  1.0 1.0
   73    77    84    86   0.00000  1.0 1.0
   73    77    84    87   0.00000  1.0 1.0
   78    77    84    85   0.00000  1.0 1.0
   78    77    84    86   0.00000  1.0 1.0
   78    77    84    87   0.00000  1.0 1.0
   60    56    58    41   0.56750  1.0 1.0
   60    56    58    41  -0.07550 -1.0 2.0
   60    56    58    41   0.20000  1.0 3.0
   60    56    58    59   0.15000  1.0 3.0
   60    56    58    64   3.97050  1.0 1.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    45  -0.95700  1.0 1.0
   43    38    41    45  -0.18200 -1.0 2.0
   43    38    41    45   0.29450  1.0 3.0
   43    38    41    58  -0.95700  1.0 1.0
   43    38    41    58  -0.18200 -1.0 2.0
   43    38    41    58   0.29450  1.0 3.0
   43    48    52    53   0.08050  1.0 3.0
   43    48    52    54   0.08050  1.0 3.0
   43    48    52    55   0.08050  1.0 3.0
   44    43    48    52   3.00000 -1.0 2.0
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
   98   105   103   104  10.50000 -1.0 2.0
   81    99    92    93  10.50000 -1.0 2.0
   76    94    82    83  10.50000 -1.0 2.0
   73    84    77    78  10.50000 -1.0 2.0
   38    48    43    44  10.50000 -1.0 2.0
END
