* LIGAND DATABASE FILE (OPLS2005)
*
001     104   107    196    297     562
    1     0 S   NP   _N1_     1    29.44826    97.41856   -25.15852
    2     1 S   H    _HN1     2     1.02949    72.93421   -14.95857
    3     1 S   H    _H1_     3     1.02830    34.18146   163.57341
    4     1 S   H    _H2_     4     1.02777   118.67982  -116.93784
    5     1 S   CT   _CA1     5     1.50116   124.77619    88.38754
    6     5 S   HC   _HA1     6     1.09574   105.20847    94.77871
    7     5 S   CO3  _C1_     7     1.53806   112.30448   -25.44439
    8     7 S   O2Z  _O11     8     1.26377   114.99823   -45.17580
    9     7 S   O2Z  _O12     9     1.26228   114.96425   133.82936
   10     5 S   CT   _CB1    10     1.53088   107.40973  -147.27813
   11    10 S   HC   HB11    11     1.09829   109.43348   -49.74246
   12    10 S   HC   HB12    12     1.09809   110.46977    66.89930
   13    10 S   CT   _CG1    13     1.52949   112.51407  -170.69684
   14    13 S   HC   HG11    14     1.09593   110.59710   -64.35221
   15    13 S   HC   HG12    15     1.09676   109.81081    54.80287
   16    13 S   C    _CD1    16     1.51817   112.31437   175.25872
   17    16 S   O    _OE1    17     1.22735   123.43167     4.65051
   18    16 S   N    _N2_    18     1.38464   111.54740  -175.36291
   19    18 S   H    _HN2    19     1.01812   118.96757     1.72351
   20    18 S   CT1  _CA2    20     1.46046   123.25813   178.36841
   21    20 S   HC   _HA2    21     1.09764   108.25359    29.56256
   22    20 S   C    _C2_    22     1.53307   110.08573   -86.31419
   23    22 S   O    _O2_    23     1.23160   120.89421   160.98108
   24    20 S   CT   _CB2    32     1.53472   111.50588   151.66797
   25    24 S   HC   HB21    33     1.09346   110.34157    56.16497
   26    24 S   HC   HB22    34     1.09516   110.36136   175.45184
   27    22 S   N    _N3_    24     1.38147   114.88469   -24.60569
   28    27 S   H    _HN3    25     1.01620   119.31188     3.41438
   29    24 S   S    _SG2    35     1.82831   110.17193   -64.71493
   30    27 S   CT   _CA3    26     1.45347   123.33179   179.57022
   31    30 S   HC   HA31    27     1.09547   107.31187   -69.18349
   32    30 S   HC   HA32    28     1.09490   108.43728    47.01454
   33    29 S   CT   _C30    36     1.83562   100.44342   175.49337
   34    33 S   HC   _H3_    37     1.09509   105.53558    50.37132
   35    30 S   CO3  _C3_    29     1.52891   114.01986   170.24150
   36    35 S   O2Z  _O31    30     1.26360   115.98838    19.72024
   37    35 S   O2Z  _O32    31     1.26431   114.56634  -160.58486
   38    33 S   CM   _C11    38     1.53626   112.62065   -71.44868
   39    33 S   CT   _C27   101     1.53071   108.40019   163.80794
   40    39 S   HC   _H62   102     1.09558   112.62544    57.93465
   41    39 S   HC   _H63   103     1.09607   110.62903   178.62684
   42    39 S   HC   _H64   104     1.09643   110.89100   -62.71603
   43    38 S   CMA  _C12    39     1.36901   121.79067   122.30116
   44    43 S   OM   _O28    40     1.26923   125.47870    -1.96104
   45    38 S   CT   _C29    96     1.52111   116.59655   -59.56011
   46    45 S   HC   _H67    97     1.09328   111.78653    38.42846
   47    45 S   HC   _H68    98     1.09453   112.80218   157.62229
   48    43 S   OS   _O37    41     1.41963   111.63007   178.12790
   49    45 S   OH   _O36    99     1.42237   109.57578   -81.77517
   50    49 S   HO   _H70   100     0.97194   106.87038  -179.12151
   51    48 S   CT   _C28    42     1.43405   114.67668  -142.21245
   52    51 S   HC   _H65    43     1.09714   110.35721   -67.90736
   53    51 S   HC   _H66    44     1.09482   109.83359    50.04941
   54    51 S   CM   _C10    45     1.50831   108.45908   172.34211
   55    54 S   CM   _C9_    46     1.34723   125.41510  -108.92292
   56    55 S   HC   _H42    47     1.08910   119.46194  -178.61789
   57    54 S   CO4  _C13    52     1.49827   118.71002    72.11043
   58    57 S   O    _O30    53     1.22215   124.96502   175.06184
   59    55 S   CT   _C25    48     1.49599   127.36148     2.73867
   60    59 S   HC   _H56    49     1.09414   109.87993  -111.11842
   61    59 S   HC   _H57    50     1.09505   109.33703   130.44885
   62    59 S   HC   _H58    51     1.09170   113.75674    10.85747
   63    57 S   OS   _O38    54     1.35616   109.23068    -6.25367
   64    63 S   CT   _C22    55     1.44587   119.12641  -172.33876
   65    64 S   HC   _H52    56     1.09734   109.49542    21.35548
   66    64 S   CT   _C15    57     1.53120   109.07467   -95.77977
   67    66 S   HC   _H43    58     1.09806   108.61843    53.04510
   68    66 S   HC   _H44    59     1.09690   109.31507   168.56758
   69    64 S   CT   _C19    76     1.53814   108.22488   139.65453
   70    69 S   HC   _H49    77     1.09840   109.71713   177.05649
   71    66 S   C3T  _C23    60     1.51412   114.14602   -69.18493
   72    69 S   CM   _C6_    78     1.49633   114.92070   -61.98372
   73    71 S   C3T  _C16    61     1.52076   118.89282    82.54348
   74    73 S   HC   _H45    62     1.08070   120.30043  -156.18730
   75    73 S   HC   _H46    63     1.08261   119.03165    -7.32681
   76    71 S   CT   _C20    65     1.53104   115.71971   -77.97169
   77    76 S   HC   _H50    66     1.09828   106.79996   -31.51659
   78    72 S   CO4  _C7_    79     1.47343   108.83200   144.19459
   79    78 S   O    _O29    80     1.21777   126.97038   170.65574
   80    72 S   CM   _C8_    82     1.33656   130.30329   -34.38822
   81    80 S   HC   _H40    83     1.08415   121.46864    -1.14518
   82    80 S   HC   _H41    84     1.08551   121.59880   179.06707
   83    71 S   O3T  _O35    64     1.43649   111.41659   146.51919
   84    76 S   CT   _C17    67     1.54991   119.15589  -152.91076
   85    84 S   HC   _H47    68     1.09968   110.54130   154.54497
   86   103 S   OS   _O34    81     1.44497   108.26280  -164.43393
   87    84 S   CM   _C4_    69     1.49447   102.41242   -91.97691
   88    87 S   HC   _H39    70     1.08070   123.90890   162.26238
   89    84 S   OS   _O39    89     1.42452   116.65761    29.37152
   90    87 S   CM   _C5_    71     1.34046   111.11263   -21.26201
   91    89 S   CO4  _C14    90     1.36393   116.04599    78.02322
   92    91 S   O    _O33    91     1.22334   126.40318    -0.57539
   93    76 S   CT   _C18    72     1.55712   112.01587    87.63617
   94    93 S   HC   _H48    73     1.09980   108.73726  -151.21796
   95    90 S   CT   _C24    85     1.48691   125.39405  -176.69524
   96    95 S   HC   _H53    86     1.09148   110.61189   121.52797
   97    95 S   HC   _H54    87     1.09504   111.57668     1.76114
   98    95 S   HC   _H55    88     1.09230   110.74012  -118.04344
   99    91 S   CT   _C26    92     1.49849   109.51374   179.55063
  100    99 S   HC   _H59    93     1.09289   109.82964   -60.53721
  101    99 S   HC   _H60    94     1.09378   109.34719  -179.53733
  102    99 S   HC   _H61    95     1.09281   109.87825    61.39207
  103    93 S   CT   _C21    74     1.53541   116.30283   -28.82645
  104   103 S   HC   _H51    75     1.09633   110.25860    79.58958
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  13   5   2   1   1  10   3   5   3   2   6
   1   1   9   4   3  10   8   5   7   2   3   2   1   1  10  17
   8  15   6   5  15   7  14   9   7   3   2  15   9   8   3   4
   1   1   2  12   6   5  11   4   8   8   5   4   7   3   4   2
   1   1   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    45    46    47    49    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    51    45    46    47    49    50    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    51    52    53    54    45    46    47    49  
   48    51    45  
   46    47    49    50    48  
   47    49    50  
   49    50  
   51    52    53    54    55    57  
   50  
    0  
   52    53    54    55    56    59    57    58    63  
   53    54    55    57  
   54    55    57  
   55    56    59    60    61    62    57    58    63    64  
   56    59    60    61    62    57    58    63  
   59    60    61    62    57  
   58    63    64    65    66    69    59  
   63    64  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68    71   103    69    70    72  
   65    66    67    68    71    73    83    76    93   103   104    69    70    72    78    86    80  
   66    67    68    71   103    69    70    72  
   67    68    71    73    74    75    83    76    77    84    93   103    69    70    72  
   68    71    73    83    76    69  
   71    73    83    76    69  
   70    72    78    79    86    80    81    82    71    76    90    93    94   103   104  
   72    78    86    80    93   103   104  
   73    74    75    83    76    77    84    85    87    90    93    94   103    89  
   78    79    86    80    81    82    93   103   104  
   74    75    83    76    77    84    93  
   75    83    76  
   83    76  
   77    84    85    87    88    90    93    94   103   104    86    95    89    91    83  
   84    85    87    90    93    94   103    89    83  
   79    86    80    81    82    93   103   104  
   86    80   103  
   81    82    86   103  
   82  
    0  
   84    93  
   85    87    88    90    93    94   103    95    89    91    92    99  
   87    88    90    93    89    91  
   90    93    94   103   104  
   88    90    93    94   103    95    96    97    98    89    91  
   90    93    95    89  
   91    92    99   100   101   102    90    93  
   93    94   103   104    95    96    97    98  
   92    99   100   101   102  
   99   100   101   102  
   94   103   104    95    96    97    98  
  103   104    95  
   96    97    98   103  
   97    98  
   98  
    0  
  100   101   102  
  101   102  
  102  
    0  
  104  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.145000   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   91   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.030000   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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   317.000  1.510
   54    55   549.000  1.340
   54    57   320.000  1.462
   55    56   340.000  1.080
   55    59   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   57    58   570.000  1.229
   57    63   214.000  1.327
   63    64   320.000  1.410
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   275.000  1.510
   71    73   260.000  1.509
   71    83   335.000  1.432
   71    76   275.000  1.510
   73    74   340.000  1.088
   73    75   340.000  1.088
   73    83   335.000  1.432
   76    77   340.000  1.090
   76    84   268.000  1.529
   76    93   268.000  1.529
   84    85   340.000  1.090
   84    87   317.000  1.510
   84    89   320.000  1.410
   87    88   340.000  1.080
   87    90   549.000  1.340
   90    93   317.000  1.510
   90    95   317.000  1.510
   93    94   340.000  1.090
   93   103   268.000  1.529
  103   104   340.000  1.090
  103    69   268.000  1.529
  103    86   320.000  1.410
   69    70   340.000  1.090
   69    72   317.000  1.510
   72    78   320.000  1.462
   72    80   549.000  1.340
   78    79   570.000  1.229
   78    86   214.000  1.327
   80    81   340.000  1.080
   80    82   340.000  1.080
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   89    91   214.000  1.327
   91    92   570.000  1.229
   91    99   317.000  1.522
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    50   553.000  0.945
   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    49    90.00000  110.39200
   43    48    51    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    85.00000  110.90400
   51    54    55    70.00000  124.00000
   51    54    57    65.00000  116.34900
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    55    56    35.00000  120.00000
   54    55    59    70.00000  124.00000
   54    57    58    80.00000  123.72100
   54    57    63    90.00000  111.29400
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   59    55    56    35.00000  117.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   57    54    55    65.00000  118.96000
   57    63    64    83.00000  116.90000
   63    57    58    83.00000  123.40000
   63    64    65    35.00000  109.50000
   63    64    66    50.00000  109.50000
   63    64    69    50.00000  109.50000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    71    70.00000  112.37300
   64    69   103    58.35000  112.70000
   64    69    70    37.50000  110.70000
   64    69    72    70.00000  112.02700
   66    64    65    37.50000  110.70000
   66    71    73    60.00000  120.94000
   66    71    83    80.00000  116.47100
   66    71    76    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    45.00000  109.38400
   71    66    68    45.00000  109.38400
   71    73    74    37.50000  117.20000
   71    73    75    37.50000  117.20000
   71    73    83    15.00000   60.43100
   71    83    73    15.00000   59.14900
   71    76    77    45.00000  109.38400
   71    76    84    70.00000  112.37300
   71    76    93    70.00000  112.37300
   75    73    74    35.00000  114.30000
   83    71    73    15.00000   60.43100
   83    73    74    50.00000  114.27700
   83    73    75    50.00000  114.27700
   76    71    73    60.00000  120.94000
   76    71    83    80.00000  116.47100
   76    84    85    37.50000  110.70000
   76    84    87    70.00000  112.02700
   76    84    89    50.00000  109.50000
   76    93    90    70.00000  112.02700
   76    93    94    37.50000  110.70000
   76    93   103    58.35000  112.70000
   84    76    77    37.50000  110.70000
   84    87    88    35.00000  117.00000
   84    87    90    70.00000  124.00000
   84    89    91    83.00000  116.90000
   87    84    85    35.00000  109.50000
   87    90    93    70.00000  124.00000
   87    90    95    70.00000  124.00000
   90    87    88    35.00000  120.00000
   90    93    94    35.00000  109.50000
   90    93   103    70.00000  112.02700
   90    95    96    35.00000  109.50000
   90    95    97    35.00000  109.50000
   90    95    98    35.00000  109.50000
   93    76    77    37.50000  110.70000
   93    76    84    58.35000  112.70000
   93   103   104    37.50000  110.70000
   93   103    69    58.35000  112.70000
   93   103    86    50.00000  109.50000
  103    93    94    37.50000  110.70000
  103    69    70    37.50000  110.70000
  103    69    72    70.00000  112.02700
  103    86    78    83.00000  116.90000
   69    64    65    37.50000  110.70000
   69    64    66    58.35000  112.70000
   69   103   104    37.50000  110.70000
   69    72    78    65.00000  116.34900
   69    72    80    70.00000  124.00000
   72    69    70    35.00000  109.50000
   72    78    79    80.00000  123.72100
   72    78    86    90.00000  111.29400
   72    80    81    35.00000  120.00000
   72    80    82    35.00000  120.00000
   86   103   104    35.00000  109.50000
   86   103    69    50.00000  109.50000
   86    78    79    83.00000  123.40000
   80    72    78    65.00000  118.96000
   82    80    81    35.00000  117.00000
   95    90    93    65.00000  117.92700
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   89    84    85    35.00000  109.50000
   89    84    87    85.00000  110.90400
   89    91    92    83.00000  123.40000
   89    91    99    81.00000  111.40000
   91    99   100    35.00000  109.50000
   91    99   101    35.00000  109.50000
   91    99   102    35.00000  109.50000
   99    91    92    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
   45    38    43    70.00000  124.00000
   45    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  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    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    49   0.18000  1.0 1.0
   33    38    45    49   0.16450 -1.0 2.0
   33    38    45    49   0.04450  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    51  -2.26850  1.0 1.0
   38    43    48    51   3.39050 -1.0 2.0
   38    45    49    50  -0.07800  1.0 1.0
   38    45    49    50  -0.21500 -1.0 2.0
   38    45    49    50  -0.03150  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    49   0.67800  1.0 1.0
   43    38    45    49   0.47050 -1.0 2.0
   43    38    45    49  -0.62500  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53   0.08050  1.0 3.0
   43    48    51    54  -0.48150  1.0 1.0
   43    48    51    54   0.09250 -1.0 2.0
   43    48    51    54  -0.12850  1.0 3.0
   44    43    48    51   2.00000 -1.0 2.0
   48    51    54    55   0.39000  1.0 1.0
   48    51    54    55  -0.05800 -1.0 2.0
   48    51    54    55  -0.55150  1.0 3.0
   48    51    54    57   0.09700  1.0 1.0
   48    51    54    57   0.15600 -1.0 2.0
   48    51    54    57  -0.50800  1.0 3.0
   51    54    55    56   7.00000 -1.0 2.0
   51    54    55    59   7.00000 -1.0 2.0
   51    54    57    58  -0.64400  1.0 1.0
   51    54    57    58   0.26850 -1.0 2.0
   51    54    57    63  -0.15000  1.0 1.0
   51    54    57    63   0.89550 -1.0 2.0
   51    54    57    63  -0.06900  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    57   0.15000  1.0 3.0
   54    55    59    60   0.00000  1.0 1.0
   54    55    59    61   0.00000  1.0 1.0
   54    55    59    62   0.00000  1.0 1.0
   54    57    63    64   2.00000 -1.0 2.0
   55    54    57    58   1.00000 -1.0 2.0
   55    54    57    63  -0.56150  1.0 1.0
   55    54    57    63   2.19150 -1.0 2.0
   56    55    59    60   0.33100  1.0 3.0
   56    55    59    61   0.33100  1.0 3.0
   56    55    59    62   0.33100  1.0 3.0
   57    54    55    56   7.00000 -1.0 2.0
   57    54    55    59   7.00000 -1.0 2.0
   57    63    64    65   0.08050  1.0 3.0
   57    63    64    66  -0.25900  1.0 1.0
   57    63    64    66  -0.47000 -1.0 2.0
   57    63    64    66   0.11750  1.0 3.0
   57    63    64    69  -0.25900  1.0 1.0
   57    63    64    69  -0.47000 -1.0 2.0
   57    63    64    69   0.11750  1.0 3.0
   58    57    63    64   3.00000 -1.0 2.0
   63    64    66    67   0.23400  1.0 3.0
   63    64    66    68   0.23400  1.0 3.0
   63    64    66    71  -0.26800  1.0 1.0
   63    64    66    71   0.69150 -1.0 2.0
   63    64    66    71  -0.48750  1.0 3.0
   63    64    69   103   0.62750  1.0 1.0
   63    64    69   103  -0.30950 -1.0 2.0
   63    64    69   103   0.27300  1.0 3.0
   63    64    69    70   0.23400  1.0 3.0
   63    64    69    72   0.61850  1.0 1.0
   63    64    69    72  -0.22750 -1.0 2.0
   63    64    69    72   0.15300  1.0 3.0
   64    66    71    73   0.07850  1.0 1.0
   64    66    71    73  -0.03950 -1.0 2.0
   64    66    71    73   0.67350  1.0 3.0
   64    66    71    83   0.02550  1.0 1.0
   64    66    71    83  -0.02600 -1.0 2.0
   64    66    71    83   1.20400  1.0 3.0
   64    66    71    76   0.56750  1.0 1.0
   64    66    71    76  -0.07550 -1.0 2.0
   64    66    71    76   0.20000  1.0 3.0
   64    69    72    78   0.09700  1.0 1.0
   64    69    72    78   0.15600 -1.0 2.0
   64    69    72    78  -0.50800  1.0 3.0
   64    69    72    80   0.09850  1.0 1.0
   64    69    72    80   0.15250 -1.0 2.0
   64    69    72    80  -0.50650  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    71   0.15000  1.0 3.0
   65    64    69   103   0.15000  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   66    64    69   103   0.56750  1.0 1.0
   66    64    69   103  -0.07550 -1.0 2.0
   66    64    69   103   0.20000  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    72   0.34400  1.0 1.0
   66    64    69    72   0.09450 -1.0 2.0
   66    64    69    72   0.11100  1.0 3.0
   66    71    73    74   0.15000  1.0 3.0
   66    71    73    75   0.15000  1.0 3.0
   66    71   -73    83   0.02550  1.0 1.0
   66    71   -73    83  -0.02600 -1.0 2.0
   66    71   -73    83   1.20400  1.0 3.0
   66    71   -83    73   0.06250  1.0 1.0
   66    71   -83    73  -0.01100 -1.0 2.0
   66    71   -83    73   0.28050  1.0 3.0
   66    71    76    77   0.15000  1.0 3.0
   66    71    76    84   0.56750  1.0 1.0
   66    71    76    84  -0.07550 -1.0 2.0
   66    71    76    84   0.20000  1.0 3.0
   66    71    76    93   0.56750  1.0 1.0
   66    71    76    93  -0.07550 -1.0 2.0
   66    71    76    93   0.20000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    83   0.23400  1.0 3.0
   67    66    71    76   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    83   0.23400  1.0 3.0
   68    66    71    76   0.15000  1.0 3.0
   71    76    84    85   0.15000  1.0 3.0
   71    76    84    87   0.34400  1.0 1.0
   71    76    84    87   0.09450 -1.0 2.0
   71    76    84    87   0.11100  1.0 3.0
   71    76    84    89  -0.26800  1.0 1.0
   71    76    84    89   0.69150 -1.0 2.0
   71    76    84    89  -0.48750  1.0 3.0
   71    76    93    90   0.34400  1.0 1.0
   71    76    93    90   0.09450 -1.0 2.0
   71    76    93    90   0.11100  1.0 3.0
   71    76    93    94   0.15000  1.0 3.0
   71    76    93   103   0.47050  1.0 1.0
   71    76    93   103   0.03900 -1.0 2.0
   71    76    93   103   0.20100  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    84   0.07850  1.0 1.0
   73    71    76    84  -0.03950 -1.0 2.0
   73    71    76    84   0.67350  1.0 3.0
   73    71    76    93   0.07850  1.0 1.0
   73    71    76    93  -0.03950 -1.0 2.0
   73    71    76    93   0.67350  1.0 3.0
   74    73   -83    71   0.36800  1.0 3.0
   75    73   -83    71   0.36800  1.0 3.0
   83    71   -73    74   0.23400  1.0 3.0
   83    71   -73    75   0.23400  1.0 3.0
   83    71    76    77   0.23400  1.0 3.0
   83    71    76    84   0.02550  1.0 1.0
   83    71    76    84  -0.02600 -1.0 2.0
   83    71    76    84   1.20400  1.0 3.0
   83    71    76    93   0.02550  1.0 1.0
   83    71    76    93  -0.02600 -1.0 2.0
   83    71    76    93   1.20400  1.0 3.0
   76    71    73    74   0.15000  1.0 3.0
   76    71    73    75   0.15000  1.0 3.0
   76    71   -73    83   0.02550  1.0 1.0
   76    71   -73    83  -0.02600 -1.0 2.0
   76    71   -73    83   1.20400  1.0 3.0
   76    71   -83    73   0.06250  1.0 1.0
   76    71   -83    73  -0.01100 -1.0 2.0
   76    71   -83    73   0.28050  1.0 3.0
   76    84    87    88   0.00000  1.0 1.0
   76    84   -87    90   0.09850  1.0 1.0
   76    84   -87    90   0.15250 -1.0 2.0
   76    84   -87    90  -0.50650  1.0 3.0
   76    84    89    91  -0.25900  1.0 1.0
   76    84    89    91  -0.47000 -1.0 2.0
   76    84    89    91   0.11750  1.0 3.0
   76    93   103   104   0.15000  1.0 3.0
   76    93   103    69   0.56750  1.0 1.0
   76    93   103    69  -0.07550 -1.0 2.0
   76    93   103    69   0.20000  1.0 3.0
   76    93   103    86   0.62750  1.0 1.0
   76    93   103    86  -0.30950 -1.0 2.0
   76    93   103    86   0.27300  1.0 3.0
   77    76    84    85   0.15000  1.0 3.0
   77    76    84    87   0.15000  1.0 3.0
   77    76    84    89   0.23400  1.0 3.0
   77    76    93    90   0.15000  1.0 3.0
   77    76    93    94   0.15000  1.0 3.0
   77    76    93   103   0.15000  1.0 3.0
   84    76   -93    90   0.34400  1.0 1.0
   84    76   -93    90   0.09450 -1.0 2.0
   84    76   -93    90   0.11100  1.0 3.0
   84    76    93    94   0.15000  1.0 3.0
   84    76    93   103   0.56750  1.0 1.0
   84    76    93   103  -0.07550 -1.0 2.0
   84    76    93   103   0.20000  1.0 3.0
   84    87   -90    93   7.00000 -1.0 2.0
   84    87    90    95   7.00000 -1.0 2.0
   84    89    91    92   3.00000 -1.0 2.0
   84    89    91    99   1.63150  1.0 1.0
   84    89    91    99   2.92000 -1.0 2.0
   85    84    87    88   0.33100  1.0 3.0
   85    84    87    90   0.00000  1.0 1.0
   85    84    89    91   0.08050  1.0 3.0
   87    84    89    91  -0.82050  1.0 1.0
   87    84    89    91   0.00600 -1.0 2.0
   87    84    89    91   0.04400  1.0 3.0
   87    90   -93    76   0.09850  1.0 1.0
   87    90   -93    76   0.15250 -1.0 2.0
   87    90   -93    76  -0.50650  1.0 3.0
   87    90    93    94   0.00000  1.0 1.0
   87    90    93   103   0.09850  1.0 1.0
   87    90    93   103   0.15250 -1.0 2.0
   87    90    93   103  -0.50650  1.0 3.0
   87    90    95    96   0.00000  1.0 1.0
   87    90    95    97   0.00000  1.0 1.0
   87    90    95    98   0.00000  1.0 1.0
   88    87    90    93   7.00000 -1.0 2.0
   88    87    90    95   7.00000 -1.0 2.0
   90    93   103   104   0.15000  1.0 3.0
   90    93   103    69   0.34400  1.0 1.0
   90    93   103    69   0.09450 -1.0 2.0
   90    93   103    69   0.11100  1.0 3.0
   90    93   103    86   0.61850  1.0 1.0
   90    93   103    86  -0.22750 -1.0 2.0
   90    93   103    86   0.15300  1.0 3.0
   93    76    84    85   0.15000  1.0 3.0
   93    76   -84    87   0.34400  1.0 1.0
   93    76   -84    87   0.09450 -1.0 2.0
   93    76   -84    87   0.11100  1.0 3.0
   93    76    84    89   0.62750  1.0 1.0
   93    76    84    89  -0.30950 -1.0 2.0
   93    76    84    89   0.27300  1.0 3.0
   93    90    95    96   0.34800  1.0 3.0
   93    90    95    97   0.34800  1.0 3.0
   93    90    95    98   0.34800  1.0 3.0
   93   103    69    64   0.56750  1.0 1.0
   93   103    69    64  -0.07550 -1.0 2.0
   93   103    69    64   0.20000  1.0 3.0
   93   103    69    70   0.15000  1.0 3.0
   93   103    69    72   0.34400  1.0 1.0
   93   103    69    72   0.09450 -1.0 2.0
   93   103    69    72   0.11100  1.0 3.0
   93   103    86    78  -0.25900  1.0 1.0
   93   103    86    78  -0.47000 -1.0 2.0
   93   103    86    78   0.11750  1.0 3.0
   94    93   103   104   0.15000  1.0 3.0
   94    93   103    69   0.15000  1.0 3.0
   94    93   103    86   0.23400  1.0 3.0
  103    69   -72    78   0.09700  1.0 1.0
  103    69   -72    78   0.15600 -1.0 2.0
  103    69   -72    78  -0.50800  1.0 3.0
  103    69    72    80   0.09850  1.0 1.0
  103    69    72    80   0.15250 -1.0 2.0
  103    69    72    80  -0.50650  1.0 3.0
  104   103    69    64   0.15000  1.0 3.0
  104   103    69    70   0.15000  1.0 3.0
  104   103    69    72   0.15000  1.0 3.0
  104   103    86    78   0.08050  1.0 3.0
   69    64    66    67   0.15000  1.0 3.0
   69    64    66    68   0.15000  1.0 3.0
   69    64    66    71   0.47050  1.0 1.0
   69    64    66    71   0.03900 -1.0 2.0
   69    64    66    71   0.20100  1.0 3.0
   69   103   -86    78  -0.25900  1.0 1.0
   69   103   -86    78  -0.47000 -1.0 2.0
   69   103   -86    78   0.11750  1.0 3.0
   69    72    78    79  -0.64400  1.0 1.0
   69    72    78    79   0.26850 -1.0 2.0
   69    72   -78    86  -0.15000  1.0 1.0
   69    72   -78    86   0.89550 -1.0 2.0
   69    72   -78    86  -0.06900  1.0 3.0
   69    72    80    81   7.00000 -1.0 2.0
   69    72    80    82   7.00000 -1.0 2.0
   70    69    72    78   0.15000  1.0 3.0
   70    69    72    80   0.00000  1.0 1.0
   72    78   -86   103   2.00000 -1.0 2.0
   78    72    80    81   7.00000 -1.0 2.0
   78    72    80    82   7.00000 -1.0 2.0
   79    78    86   103   3.00000 -1.0 2.0
   86   103    69    64   0.62750  1.0 1.0
   86   103    69    64  -0.30950 -1.0 2.0
   86   103    69    64   0.27300  1.0 3.0
   86   103    69    70   0.23400  1.0 3.0
   86   103   -69    72   0.61850  1.0 1.0
   86   103   -69    72  -0.22750 -1.0 2.0
   86   103   -69    72   0.15300  1.0 3.0
   80    72    78    79   1.00000 -1.0 2.0
   80    72    78    86  -0.56150  1.0 1.0
   80    72    78    86   2.19150 -1.0 2.0
   95    90    93    76   0.46850  1.0 1.0
   95    90    93    76   0.08550 -1.0 2.0
   95    90    93    76   0.09800  1.0 3.0
   95    90    93    94   0.34800  1.0 3.0
   95    90    93   103   0.46850  1.0 1.0
   95    90    93   103   0.08550 -1.0 2.0
   95    90    93   103   0.09800  1.0 3.0
   89    84    87    88   0.00000  1.0 1.0
   89    84    87    90   0.39000  1.0 1.0
   89    84    87    90  -0.05800 -1.0 2.0
   89    84    87    90  -0.55150  1.0 3.0
   89    91    99   100   0.00000  1.0 1.0
   89    91    99   101   0.00000  1.0 1.0
   89    91    99   102   0.00000  1.0 1.0
   92    91    99   100   0.00000  1.0 1.0
   92    91    99   101   0.00000  1.0 1.0
   92    91    99   102   0.00000  1.0 1.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50   0.19450  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    48    43    38  15.00000 -1.0 2.0
   51    57    54    55  15.00000 -1.0 2.0
   59    56    55    54  15.00000 -1.0 2.0
   54    63    57    58  10.50000 -1.0 2.0
   84    88    87    90   1.10000 -1.0 2.0
   93    95    90    87   1.10000 -1.0 2.0
   69    78    72    80   1.10000 -1.0 2.0
   72    86    78    79  10.50000 -1.0 2.0
   81    82    80    72   1.10000 -1.0 2.0
   89    99    91    92  10.50000 -1.0 2.0
END
